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3a,7-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-8,8-dimethyl-2-oxo-, (3a.alpha.,4.beta.,7.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3a,7-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-8,8-dimethyl-2-oxo-, (3a.alpha.,4.beta.,7.alpha.)-(.+-.)-
SpectraBase Compound ID Ld4b4ZFdoiw
InChI InChI=1S/C14H18O3/c1-13(2)7-14-6-8(15)5-11(14)9(13)3-4-10(14)12(16)17/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,17)/t9-,10+,14-/m0/s1
InChIKey JBUUTQJJUGSLHQ-RBZYPMLTSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34iMAIa9A7Q
Name 3a,7-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-8,8-dimethyl-2-oxo-, (3a.alpha.,4.beta.,7.alpha.)-(.+-.)-
Alternate Name(s) (1R+,6S+,7S+)-10,10-dimethyl-7-carboxy-tricyclo[4.3.2.0]undec-2-en-4-one (1R,6S,9S)-11,11-dimethyl-3-oxotricyclo[4.3.2.0(1,5)]undec-4-ene-9-carboxylic acid
CAS Registry Number 78739-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-13(2)7-14-6-8(15)5-11(14)9(13)3-4-10(14)12(16)17/h5,9-10H,3-4,6-7H2,1-2H3,(H,16,17)/t9-,10+,14-/m0/s1
InChIKey JBUUTQJJUGSLHQ-RBZYPMLTSA-N
Molecular Weight 234.295 g/mol
SMILES OC([C@@]1([C@]23C([C@@]([H])(C(C3)(C)C)CC1)=CC(C2)=O)[H])=O
SPLASH splash10-001i-0910000000-da4764f9ac68ae22d51a
Source of Spectrum F-39-3244-0
Wiley ID 1236108