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1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-7-oxo-, ethyl ester, cis-(.+-.)-
SpectraBase Compound ID I58MQ8HX4CF
InChI InChI=1S/C12H16O3/c1-2-15-12(14)10-7-6-9-8(10)4-3-5-11(9)13/h7-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKey WWBGZQWTTHKUHO-IUCAKERBSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5pyPCrAx3k
Name 1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-7-oxo-, ethyl ester, cis-(.+-.)-
Alternate Name(s) 7-Ethoxycarbonylbicyclo[4.3.0]non-7-en-2-one Ethyl (3aS,7aS)-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-indene-3-carboxylate
CAS Registry Number 122047-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-15-12(14)10-7-6-9-8(10)4-3-5-11(9)13/h7-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKey WWBGZQWTTHKUHO-IUCAKERBSA-N
Molecular Weight 208.257 g/mol
SMILES C=1([C@@]2([C@](C(=O)CCC2)([H])CC1)[H])C(=O)OCC
SPLASH splash10-05p9-6930000000-6e05938f8abeaa579613
Source of Spectrum C-111-6704-32
Wiley ID 1206868