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4-(4-Chloro-3-keto-butyl)benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(4-Chloro-3-keto-butyl)benzoic acid methyl ester
SpectraBase Compound ID 8whg4wKpgLL
InChI InChI=1S/C12H13ClO3/c1-16-12(15)10-5-2-9(3-6-10)4-7-11(14)8-13/h2-3,5-6H,4,7-8H2,1H3
InChIKey ANLCFDUCULSVIW-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C12H13ClO3
Exact Mass 240.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGzHKDRBh2l
Name 4-(4-Chloro-3-keto-butyl)benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO3
InChI InChI=1S/C12H13ClO3/c1-16-12(15)10-5-2-9(3-6-10)4-7-11(14)8-13/h2-3,5-6H,4,7-8H2,1H3
InChIKey ANLCFDUCULSVIW-UHFFFAOYSA-N
Molecular Weight 240.686 g/mol
SMILES C(c1ccc(cc1)CCC(=O)CCl)(=O)OC
SPLASH splash10-01oy-0940000000-9f3e3755669e4039566b
Source of Spectrum H1-36-1905-18
Synonyms 4-(4-Chloro-3-oxobutyl)benzoic acid methyl ester Methyl 4-(4-chloranyl-3-oxidanylidene-butyl)benzoate Methyl 4-(4-chloro-3-oxo-butyl)benzoate
Wiley ID 755448