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(E)-1-(4-chlorophenyl)-3-(1-cyclohexyl-2-sulfanylidene-3-pyridinyl)-2-propen-1-one
SpectraBase Compound ID Ism3ASNXIDl
InChI InChI=1S/C20H20ClNOS/c21-17-11-8-15(9-12-17)19(23)13-10-16-5-4-14-22(20(16)24)18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7H2/b13-10+
InChIKey XJKGOHPCDDVACU-JLHYYAGUSA-N
Mol Weight 357.9 g/mol
Molecular Formula C20H20ClNOS
Exact Mass 357.095413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaHkbKLsXZT
Name (E)-1-(4-chlorophenyl)-3-(1-cyclohexyl-2-sulfanylidene-3-pyridinyl)-2-propen-1-one
CAS Registry Number 89818-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClNOS
InChI InChI=1S/C20H20ClNOS/c21-17-11-8-15(9-12-17)19(23)13-10-16-5-4-14-22(20(16)24)18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7H2/b13-10+
InChIKey XJKGOHPCDDVACU-JLHYYAGUSA-N
Molecular Weight 357.899 g/mol
SMILES C1(N(C=CC=C1\C=C\C(c1ccc(cc1)Cl)=O)C1CCCCC1)=S
SPLASH splash10-000i-0930000000-961b7e795e9686b87adb
Source of Spectrum Y-20-1653-0
Synonyms (E)-1-(4-chlorophenyl)-3-(1-cyclohexyl-2-sulfanylidene-pyridin-3-yl)prop-2-en-1-one (E)-1-(4-chlorophenyl)-3-(1-cyclohexyl-2-thioxo-3-pyridyl)prop-2-en-1-one
Wiley ID 1346452