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3-(But-3-en-1-yl)-5-methyl-2-oxo-cyclopentanecarboxylic acid, methyl ester

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3-(But-3-en-1-yl)-5-methyl-2-oxo-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID BC3Tp6ARDas
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-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 JVbzXfTI37t
Name Cyclopentanecarboxylic acid, 3-(3-butenyl)-5-methyl-2-oxo-, methyl ester
Alternate Name(s) Methyl 3-(3-butenyl)-5-methyl-2-oxocyclopentanecarboxylate
CAS Registry Number 104620-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(C(CCC=C)CC1C)=O)C(=O)OC
SPLASH splash10-0pi0-0900000000-faad433e740ed826428c
Source of Spectrum C-108-7689-6
Wiley ID 1209207