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(1R,4E)-4-Chloro-1-hydroxy-1-(4-methoxyphenyl)hept-4-en-3-one
SpectraBase Compound ID 4mSkMTDt1Wl
InChI InChI=1S/C14H17ClO3/c1-3-4-12(15)14(17)9-13(16)10-5-7-11(18-2)8-6-10/h4-8,13,16H,3,9H2,1-2H3/b12-4+/t13-/m1/s1
InChIKey FDTUCBCALWUEPA-YKAQBRKTSA-N
Mol Weight 268.74 g/mol
Molecular Formula C14H17ClO3
Exact Mass 268.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPmlnDHtSd9
Name (1R,4E)-4-Chloro-1-hydroxy-1-(4-methoxyphenyl)hept-4-en-3-one
Alternate Name(s) (1R,4E)-4-chloro-1-hydroxy-1-(4-methoxyphenyl)-4-hepten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClO3
InChI InChI=1S/C14H17ClO3/c1-3-4-12(15)14(17)9-13(16)10-5-7-11(18-2)8-6-10/h4-8,13,16H,3,9H2,1-2H3/b12-4+/t13-/m1/s1
InChIKey FDTUCBCALWUEPA-YKAQBRKTSA-N
Molecular Weight 268.740 g/mol
SMILES O[C@](CC(\C(=C/CC)Cl)=O)(c1ccc(cc1)OC)[H]
SPLASH splash10-000i-5900000000-3bb342e5c3b3b5985843
Source of Spectrum C5-2004-2458-9
Wiley ID 1617314