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Methyl ester of (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-octahydro-1-hydroxy-7a-methyl-6-oxo-1H-indene-4-propanoic acid

View entire compound with spectra: 1 MS (GC)

Methyl ester of (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-octahydro-1-hydroxy-7a-methyl-6-oxo-1H-indene-4-propanoic acid
SpectraBase Compound ID I6rqXbvlirx
InChI InChI=1S/C14H22O4/c1-14-8-10(15)7-9(3-6-13(17)18-2)11(14)4-5-12(14)16/h9,11-12,16H,3-8H2,1-2H3/t9-,11+,12+,14+/m0/s1
InChIKey QLWFHPWYJICCSU-LEJCRSTHSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NVDvrfZHV3
Name Methyl ester of (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-octahydro-1-hydroxy-7a-methyl-6-oxo-1H-indene-4-propanoic acid
Alternate Name(s) Methyl 3-[(1R,3aR,4S,7aR)-1-hydroxy-7a-methyl-6-oxooctahydro-1H-inden-4-yl]propanoate
CAS Registry Number 91202-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-14-8-10(15)7-9(3-6-13(17)18-2)11(14)4-5-12(14)16/h9,11-12,16H,3-8H2,1-2H3/t9-,11+,12+,14+/m0/s1
InChIKey QLWFHPWYJICCSU-LEJCRSTHSA-N
Molecular Weight 254.326 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@](CCC(=O)OC)(CC(C2)=O)[H])(CC1)[H])C)[H]
SPLASH splash10-0089-0910000000-6b692643d882fc19316e
Source of Spectrum J-49-3281-0
Wiley ID 1257668