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1-Cyclopentene-1-carboxylic acid, 2,3-dimethyl-5-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID 2jOctNpPfN6
InChI InChI=1S/C9H12O3/c1-5-4-7(10)8(6(5)2)9(11)12-3/h5H,4H2,1-3H3
InChIKey ZRSNKRCKILWPHW-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wxkBtpue6t
Name 1-Cyclopentene-1-carboxylic acid, 2,3-dimethyl-5-oxo-, methyl ester, (.+-.)-
Alternate Name(s) Methyl 2,3-dimethyl-5-oxo-1-cyclopentene-1-carboxylate Methyl 2,3-dimethyl-5-oxocylopent-1-ene-1-carboxylate
CAS Registry Number 118197-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-4-7(10)8(6(5)2)9(11)12-3/h5H,4H2,1-3H3
InChIKey ZRSNKRCKILWPHW-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C=1(C(CC(C1C)C)=O)C(=O)OC
SPLASH splash10-014r-6900000000-6c885dfc324b32eec787
Source of Spectrum KC-1988-475-13
Wiley ID 1164385