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6-Chloro-3-oxo-2-phenylhexanoic Acid Methyl Ester

View entire compound with spectra: 1 MS (GC)

6-Chloro-3-oxo-2-phenylhexanoic Acid Methyl Ester
SpectraBase Compound ID 6CDwhtmcLCw
InChI InChI=1S/C13H15ClO3/c1-17-13(16)12(11(15)8-5-9-14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKey ZMYMAFYGAAJXMZ-UHFFFAOYSA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsfWYsB0kHI
Name 6-Chloro-3-oxo-2-phenylhexanoic Acid Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c1-17-13(16)12(11(15)8-5-9-14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKey ZMYMAFYGAAJXMZ-UHFFFAOYSA-N
Molecular Weight 254.713 g/mol
SMILES C(C(C(CCCCl)=O)c1ccccc1)(=O)OC
SPLASH splash10-0uxs-2900000000-87107c90ebe30d3458d5
Source of Spectrum F-70-3822-3
Synonyms 6-Chloro-3-keto-2-phenyl-hexanoic acid methyl ester Methyl 6-chloranyl-3-oxidanylidene-2-phenyl-hexanoate Methyl 6-chloro-3-oxo-2-phenyl-hexanoate
Wiley ID 1596835