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(+/-)-(1'S*,2'R*)-2'-METHYL-8'-OXOBICYCLO-[4.3.0]-NON-6'-EN-7'-YL-ACETIC-ACID
SpectraBase Compound ID 7kFpQW8lYzr
InChI InChI=1S/C12H16O3/c1-7-3-2-4-8-9(7)5-11(13)10(8)6-12(14)15/h7,9H,2-6H2,1H3,(H,14,15)/t7-,9+/m1/s1
InChIKey FXHCUSMAUDRUIN-APPZFPTMSA-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 D2K1ogNLJNL
Name (+-)-(1S,2R)-2'-Methyl-8'-oxobicyclo[4.3.0]non-6'-en-7'-yl acetic acid
Alternate Name(s) [(7R,7aS)-7-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-inden-3-yl]acetic acid
CAS Registry Number 128890-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-7-3-2-4-8-9(7)5-11(13)10(8)6-12(14)15/h7,9H,2-6H2,1H3,(H,14,15)/t7-,9+/m1/s1
InChIKey FXHCUSMAUDRUIN-APPZFPTMSA-N
Molecular Weight 208.257 g/mol
SMILES OC(CC1=C2[C@@]([C@](C)(CCC2)[H])([H])CC1=O)=O
SPLASH splash10-03dl-0920000000-324d97de2e97ba6be67e
Source of Spectrum F-46-417-19
Wiley ID 1206885