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(1R,4Z)-4-Chloro-1-hydroxy-1-(4-fluorophenyl)hept-4-en-3-one
SpectraBase Compound ID 66A7V0wuanC
InChI InChI=1S/C13H14ClFO2/c1-2-3-11(14)13(17)8-12(16)9-4-6-10(15)7-5-9/h3-7,12,16H,2,8H2,1H3/b11-3-/t12-/m1/s1
InChIKey HQVCJPQSMRUTOW-CTPBAPBTSA-N
Mol Weight 256.7 g/mol
Molecular Formula C13H14ClFO2
Exact Mass 256.066636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17xmhn269VX
Name (1R,4Z)-4-Chloro-1-hydroxy-1-(4-fluorophenyl)hept-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClFO2
InChI InChI=1S/C13H14ClFO2/c1-2-3-11(14)13(17)8-12(16)9-4-6-10(15)7-5-9/h3-7,12,16H,2,8H2,1H3/b11-3-/t12-/m1/s1
InChIKey HQVCJPQSMRUTOW-CTPBAPBTSA-N
Molecular Weight 256.704 g/mol
SMILES O[C@](CC(\C(=C\CC)Cl)=O)(c1ccc(cc1)F)[H]
SPLASH splash10-002b-9610000000-88dd01f35d13ac9266b7
Source of Spectrum C5-2004-2458-8
Synonyms (1R,4Z)-4-chloro-1-(4-fluorophenyl)-1-hydroxy-4-hepten-3-one
Wiley ID 1617313