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6-Chloro-1-(3-fluoro-4-methoxyphenyl)-hexan-1-one
SpectraBase Compound ID ADvSEogcjgu
InChI InChI=1S/C13H16ClFO2/c1-17-13-7-6-10(9-11(13)15)12(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3
InChIKey RLGOZXDPYCOCEV-UHFFFAOYSA-N
Mol Weight 258.72 g/mol
Molecular Formula C13H16ClFO2
Exact Mass 258.082286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5ri57y4E1w
Name 6-Chloro-1-(3-fluoro-4-methoxyphenyl)-hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClFO2
InChI InChI=1S/C13H16ClFO2/c1-17-13-7-6-10(9-11(13)15)12(16)5-3-2-4-8-14/h6-7,9H,2-5,8H2,1H3
InChIKey RLGOZXDPYCOCEV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol062723e
Molecular Weight 258.720 g/mol
SMILES C(CCC(c1ccc(c(c1)F)OC)=O)CCCl
SPLASH splash10-0uxr-0900000000-d9552cc12e256f6e8c71
Source of Spectrum A1-9-405/SMS14-3m
Synonyms 6-Chloro-1-(3-fluoro-4-methoxyphenyl)hexan-1-one 6-Chloro-1-(3-fluoro-4-methoxyphenyl)-1-hexanone 6-Chloranyl-1-(3-fluoranyl-4-methoxy-phenyl)hexan-1-one
Wiley ID 1757795