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Benzenepentanoic acid, 2,3-dimethyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID 2VxFV22XVR5
InChI InChI=1S/C14H18O3/c1-10-5-4-6-12(11(10)2)7-8-13(15)9-14(16)17-3/h4-6H,7-9H2,1-3H3
InChIKey QJYJPXZLRIMBHC-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DZZB9KByFB
Name Benzenepentanoic acid, 2,3-dimethyl-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 5-(2,3-dimethylphenyl)-3-oxopentanoate
CAS Registry Number 81093-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-10-5-4-6-12(11(10)2)7-8-13(15)9-14(16)17-3/h4-6H,7-9H2,1-3H3
InChIKey QJYJPXZLRIMBHC-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(C(=O)OC)C(=O)CCc1c(c(C)ccc1)C
SPLASH splash10-014i-0910000000-f3f962af8eac7ec61d43
Source of Spectrum KC-1981-3089-0
Wiley ID 1236079