For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Indene-4-carboxylic acid, 2,3,3a,6,7,7a-hexahydro-5-hydroxy-7a-methyl-1-oxo-, methyl ester, cis-
SpectraBase Compound ID 1772toJLft7
InChI InChI=1S/C12H16O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,13H,3-6H2,1-2H3/t7-,12+/m0/s1
InChIKey XBOGEMFDOFEDNQ-JVXZTZIISA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A70WnaKJK3x
Name 1H-Indene-4-carboxylic acid, 2,3,3a,6,7,7a-hexahydro-5-hydroxy-7a-methyl-1-oxo-, methyl ester, cis-
CAS Registry Number 82738-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,13H,3-6H2,1-2H3/t7-,12+/m0/s1
InChIKey XBOGEMFDOFEDNQ-JVXZTZIISA-N
Molecular Weight 224.256 g/mol
SMILES OC1=C([C@]2([C@@](C(=O)CC2)(C)CC1)[H])C(=O)OC
SPLASH splash10-000i-2910000000-9ea18c3dd1ae8ffcb3aa
Source of Spectrum B-35-807-0
Synonyms Methyl (3aR,7aR)-5-hydroxy-7a-methyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylate Methyl ester of 5-hydroxy-7a-methyl-1-oxo-cis-3a,6,7,7a-tetrahydroindan-4-carboxylic acid
Wiley ID 1224944