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Benzenepropanoic acid, .beta.-oxo-, 2-chloroethyl ester
SpectraBase Compound ID JSi1AqEgGhs
InChI InChI=1S/C11H11ClO3/c12-6-7-15-11(14)8-10(13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey WRNZELBZWXVMNO-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 4pyaaIeTncQ
Name Benzenepropanoic acid, .beta.-oxo-, 2-chloroethyl ester
Alternate Name(s) 2-Chloroethyl 3-oxo-3-phenylpropanoate 2-Chloroethyl benzoylacetate
CAS Registry Number 134272-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c12-6-7-15-11(14)8-10(13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey WRNZELBZWXVMNO-UHFFFAOYSA-N
Molecular Weight 226.659 g/mol
SMILES C(C(=O)c1ccccc1)C(=O)OCCCl
SPLASH splash10-0a4i-0900000000-b92aac03abf853bf26a5
Source of Spectrum F-47-985-0
Wiley ID 1226983