Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 11:51, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 455411312 of page Perhydropyrene for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 11:52, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456822624 of page Perillaldehyde for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
Line 1:		Line 1:
	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Chembox~~		{{chembox
			\| Verifiedfields = changed
	\| verifiedrevid = ~~455341832~~		\| verifiedrevid = 408800851
	\| ImageFile = Perhydropyrene.svg
			\| Reference=<ref>'']'', 12th Edition, '''7308'''.</ref>
	\| ImageSize = 200px
			\| ImageFileL1 = Perillaldehyde chemical structure.png
	\| IUPACName = Hexadecahydropyrene
	\| ~~OtherNames~~ =		\| ImageSizeL1 = 80px
			\| ImageNameL1 = Skeletal formula of perillaldehyde
			\| ImageFileR1 = S-Perillaldehyde-3D-balls.png
			\| ImageSizeR1 = 160px
			\| ImageNameR1 = Ball-and-stick model of perillaldehyde
			\| IUPACName = (''S'')-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde
			\| OtherNames = Perilla aldehyde; 4-Mentha-1,8-dien-7-al
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| CASNo = <!-- blanked - oldvalue: ~~2435~~-85-0 -->
			\| ChemSpiderID = 15589
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| StdInChI = 1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2
			\| KEGG = C02576
			\| InChI = 1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
			\| InChIKey = RUMOYJJNUMEFDD-UHFFFAOYAO
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 469537
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~BYBPEZLZCGOWIS~~-UHFFFAOYSA-N		\| StdInChIKey = RUMOYJJNUMEFDD-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|??}}
	\| PubChem = 75524
		⚫	\| CASNo = <!-- blanked - oldvalue: 2111-75-3 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~68050~~		\| PubChem = 16441
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| SMILES = C2CCC3CCC1C4C(CCC1)CCC2C34
			\| UNII = 6EQL0XA86G
	\| InChI = 1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
⚫	}}
			\| ChEBI = 15421
			\| SMILES = O=C\C1=C\CC(\C(=C)C)CC1
		⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| C=16\|H=26		\| C=10\|H=14\|O=1
	\| Appearance =		\| Appearance = Colorless liquid
	\| Density =		\| Density = 0.953 g/mL (20 °C)
	\| MeltingPt =		\| MeltingPt =
	\| BoilingPt =		\| BoilingPt = 237 °C (745 mmHg)
	\| Solubility =		\| Solubility =
	}}		}}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| MainHazards =		\| MainHazards =
	\| FlashPt =		\| FlashPt =
	\| Autoignition =		\| Autoignition =
	}}		}}
	}}		}}

Revision as of 11:52, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456822624 of page Perillaldehyde with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Names

IUPAC name (S)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde

Other names Perilla aldehyde; 4-Mentha-1,8-dien-7-al

Identifiers

3D model (JSmol)

Interactive image

ChEBI

CHEBI:15421

ChEMBL

ChEMBL469537

ChemSpider

15589

KEGG

C02576

PubChem CID

16441

UNII

6EQL0XA86G

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3Key: RUMOYJJNUMEFDD-UHFFFAOYSA-N
InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3Key: RUMOYJJNUMEFDD-UHFFFAOYAO

SMILES