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Benzenebutanoic acid, 3-chloro-.alpha.-methyl-.gamma.-oxo-
SpectraBase Compound ID LsmKGQ8f36k
InChI InChI=1S/C11H11ClO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKey LTEAZNXORJPLBP-UHFFFAOYSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FALoStgcveS
Name Benzenebutanoic acid, 3-chloro-.alpha.-methyl-.gamma.-oxo-
CAS Registry Number 34243-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKey LTEAZNXORJPLBP-UHFFFAOYSA-N
Molecular Weight 226.659 g/mol
SMILES OC(C(C)CC(c1cccc(c1)Cl)=O)=O
SPLASH splash10-000i-3910000000-386f7480d00e069b89e4
Source of Spectrum OS-5-415-0
Synonyms 4-(3-Chlorophenyl)-2-methyl-4-oxobutanoic acid 4-(3-Chlorophenyl)-2-methyl-4-oxidanylidene-butanoic acid 4-(3-Chlorophenyl)-4-keto-2-methyl-butyric acid Propionic acid, 3-(m-chlorobenzoyl)-2-methyl-
Wiley ID 1226975