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1H-Indene-1-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-2-oxo-, ethyl ester, (1.alpha.,3a.alpha.,7a.alpha.)-
SpectraBase Compound ID IkZFQYiTY1t
InChI InChI=1S/C12H16O3/c1-2-15-12(14)11-9-6-4-3-5-8(9)7-10(11)13/h3-4,8-9,11H,2,5-7H2,1H3/t8-,9-,11+/m1/s1
InChIKey NZTSKUSCVQDMFU-KKZNHRDASA-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 C05oUxM4HCC
Name 1H-Indene-1-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-2-oxo-, ethyl ester, (1.alpha.,3a.alpha.,7a.alpha.)-
Alternate Name(s) Ethyl (1S,3aR,7aR)-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indene-1-carboxylate Ethyl (trans-bicyclo(4.3.0)-3-nonen-8-on-7-carboxylate)
CAS Registry Number 70869-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-15-12(14)11-9-6-4-3-5-8(9)7-10(11)13/h3-4,8-9,11H,2,5-7H2,1H3/t8-,9-,11+/m1/s1
InChIKey NZTSKUSCVQDMFU-KKZNHRDASA-N
Molecular Weight 208.257 g/mol
SMILES [C@@]1(C(C[C@@]2([C@]1(CC=CC2)[H])[H])=O)(C(=O)OCC)[H]
SPLASH splash10-0059-9200000000-03e4273b288fc31687ca
Source of Spectrum O-13-706-1
Wiley ID 1206813