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Bicyclo[2.2.1]heptane-2-butanoic acid, 3,3-dimethyl-.gamma.-oxo-, exo-
SpectraBase Compound ID FmHAwxPsWjY
InChI InChI=1S/C13H20O3/c1-13(2)9-4-3-8(7-9)12(13)10(14)5-6-11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t8-,9-,12-/m0/s1
InChIKey OXZNKDZXDOZEFK-AUTRQRHGSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDfwD4x3y75
Name Bicyclo[2.2.1]heptane-2-butanoic acid, 3,3-dimethyl-.gamma.-oxo-, exo-
CAS Registry Number 79861-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-13(2)9-4-3-8(7-9)12(13)10(14)5-6-11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t8-,9-,12-/m0/s1
InChIKey OXZNKDZXDOZEFK-AUTRQRHGSA-N
Molecular Weight 224.300 g/mol
SMILES OC(CCC([C@]1(C([C@@]2(C[C@@]1(CC2)[H])[H])(C)C)[H])=O)=O
SPLASH splash10-107i-7900000000-caa5a5249f1ec6b6cb0e
Source of Spectrum AH-112-848-0
Synonyms 4-(3,3-Dimethyl-2-exo-norbornyl)-4-oxo-butyric acid 4-(3,3-Dimethyl-2-norbornyl)-4-oxobutanoic acid 4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-4-oxobutanoic acid
Wiley ID 1225258