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2-Propen-1-one, 3-[1-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinyl]-1-(4-methoxyphenyl)-, (E)-
SpectraBase Compound ID BbsH0lB4Ea5
InChI InChI=1S/C21H16ClNO2S/c1-25-19-11-4-15(5-12-19)20(24)13-6-16-3-2-14-23(21(16)26)18-9-7-17(22)8-10-18/h2-14H,1H3/b13-6+
InChIKey XAWWQUWHFNPDQI-AWNIVKPZSA-N
Mol Weight 381.88 g/mol
Molecular Formula C21H16ClNO2S
Exact Mass 381.059028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0C8lMyNeKh
Name 2-Propen-1-one, 3-[1-(4-chlorophenyl)-1,2-dihydro-2-thioxo-3-pyridinyl]-1-(4-methoxyphenyl)-, (E)-
CAS Registry Number 89818-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNO2S
InChI InChI=1S/C21H16ClNO2S/c1-25-19-11-4-15(5-12-19)20(24)13-6-16-3-2-14-23(21(16)26)18-9-7-17(22)8-10-18/h2-14H,1H3/b13-6+
InChIKey XAWWQUWHFNPDQI-AWNIVKPZSA-N
Molecular Weight 381.877 g/mol
SMILES C1(N(C=CC=C1\C=C\C(c1ccc(cc1)OC)=O)c1ccc(cc1)Cl)=S
SPLASH splash10-000t-0590000000-619edd9d3ee4856b02ad
Source of Spectrum Y-20-1653-0
Synonyms (2E)-3-[1-(4-chlorophenyl)-2-thioxo-1,2-dihydro-3-pyridinyl]-1-(4-methoxyphenyl)-2-propen-1-one (E)-3-[1-(4-chlorophenyl)-2-sulfanylidene-3-pyridinyl]-1-(4-methoxyphenyl)-2-propen-1-one (E)-3-[1-(4-chlorophenyl)-2-sulfanylidene-pyridin-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one (E)-3-[1-(4-chlorophenyl)-2-thioxo-3-pyridyl]-1-(4-methoxyphenyl)prop-2-en-1-one E-3-(2'-(4-methoxybenzoyl)vinyl)-1-(4-chlorophenyl)-2(1H)-pyridinethione
Wiley ID 1360166