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2-[(1S,7aS)-2-keto-1,4,5,6,7,7a-hexahydroinden-1-yl]acetic acid ethyl ester
SpectraBase Compound ID AYYklkOfX9h
InChI InChI=1S/C13H18O3/c1-2-16-13(15)8-11-10-6-4-3-5-9(10)7-12(11)14/h7,10-11H,2-6,8H2,1H3/t10-,11+/m1/s1
InChIKey CZWDAENFJUJPPN-MNOVXSKESA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaUFQnfk8y0
Name 2-[(1S,7aS)-2-keto-1,4,5,6,7,7a-hexahydroinden-1-yl]acetic acid ethyl ester
Alternate Name(s) (+-)-(6'S*,7'S*)-ethyl 8'-oxobicyclo[4.3.0]non-9'-en-7'-ylacetate 2-[(1S,7aS)-2-oxo-1,4,5,6,7,7a-hexahydroinden-1-yl]acetic acid ethyl ester Ethyl 2-[(1S,7aS)-2-oxidanylidene-1,4,5,6,7,7a-hexahydroinden-1-yl]ethanoate Ethyl 2-[(1S,7aS)-2-oxo-1,4,5,6,7,7a-hexahydroinden-1-yl]acetate
CAS Registry Number 123559-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-16-13(15)8-11-10-6-4-3-5-9(10)7-12(11)14/h7,10-11H,2-6,8H2,1H3/t10-,11+/m1/s1
InChIKey CZWDAENFJUJPPN-MNOVXSKESA-N
Molecular Weight 222.284 g/mol
SMILES C12=CC(=O)[C@]([C@@]2(CCCC1)[H])(CC(=O)OCC)[H]
SPLASH splash10-006t-0910000000-0f21e354372ade310a2c
Source of Spectrum F-45-1406-22
Wiley ID 1222586