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4-Chlorophenyl-.beta.-phenylpropionate
SpectraBase Compound ID 3Czh0ZqaS4A
InChI InChI=1S/C15H13ClO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey KYCIZZNPNUORSI-UHFFFAOYSA-N
Mol Weight 260.72 g/mol
Molecular Formula C15H13ClO2
Exact Mass 260.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOGbsvnTW9S
Name 4-Chlorophenyl-.beta.-phenylpropionate
CAS Registry Number 23522-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClO2
InChI InChI=1S/C15H13ClO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey KYCIZZNPNUORSI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo1004636
Molecular Weight 260.720 g/mol
SMILES c1cc(ccc1)CCC(Oc1ccc(cc1)Cl)=O
SPLASH splash10-0a6u-6900000000-29d437daaf4a53c324b5
Source of Spectrum J-75-3715/SMS3-49
Synonyms 3-Phenylpropionic acid 4-chlorophenyl ester 3-Phenylpropionic acid, 4-chlorophenyl ester 4-Chlorophenyl 3-phenylpropanoate 3-Phenylpropanoic acid (4-chlorophenyl) ester (4-chlorophenyl) 3-phenylpropanoate
Wiley ID 1751622