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5-Chloro-1,3-diphenylbutan-1-one

View entire compound with spectra: 1 MS (GC)

5-Chloro-1,3-diphenylbutan-1-one
SpectraBase Compound ID INUnugij5TH
InChI InChI=1S/C17H17ClO/c18-12-11-16(14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey NIBKISHGOMBZAL-UHFFFAOYSA-N
Mol Weight 272.77 g/mol
Molecular Formula C17H17ClO
Exact Mass 272.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIDCDaoYV9I
Name 5-Chloro-1,3-diphenylbutan-1-one
Alternate Name(s) 5-Chloro-1,3-diphenylpentan-1-one 5-Chloro-1,3-diphenyl-1-pentanone 5-Chloranyl-1,3-diphenyl-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClO
InChI InChI=1S/C17H17ClO/c18-12-11-16(14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey NIBKISHGOMBZAL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200875m
Molecular Weight 272.775 g/mol
SMILES C(C(CC(=O)c1ccccc1)c1ccccc1)CCl
SPLASH splash10-0a4i-1960000000-6688cc421394dcd6380c
Source of Spectrum A1-13-2762/SMS22-3qb
Wiley ID 1753195