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Bicyclo[3.1.0]hexane-1-carboxylic acid, 3-(2-methylpropyl)-2-oxo-, methyl ester
SpectraBase Compound ID HNAZ7ZpfRKN
InChI InChI=1S/C12H18O3/c1-7(2)4-8-5-9-6-12(9,10(8)13)11(14)15-3/h7-9H,4-6H2,1-3H3
InChIKey COMLZONNKKEXTI-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be0qHD21Aet
Name Bicyclo[3.1.0]hexane-1-carboxylic acid, 3-(2-methylpropyl)-2-oxo-, methyl ester
Alternate Name(s) Methyl 3-(2-methyl-1-propyl)-2-oxobicyclo[3.1.0]hexane-1-carboxylate Methyl 3-isobutyl-2-oxobicyclo[3.1.0]hexane-1-carboxylate
CAS Registry Number 104620-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7(2)4-8-5-9-6-12(9,10(8)13)11(14)15-3/h7-9H,4-6H2,1-3H3
InChIKey COMLZONNKKEXTI-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C12(C(CC(C2=O)CC(C)C)C1)C(=O)OC
SPLASH splash10-0uk9-0900000000-c3370409c5cfa75435ae
Source of Spectrum C-108-7690-10
Wiley ID 1209210