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(E)-1-(4-chlorophenyl)-3-(1-isopropyl-2-thioxo-3-pyridyl)prop-2-en-1-one
SpectraBase Compound ID 9qEr26dQ29q
InChI InChI=1S/C17H16ClNOS/c1-12(2)19-11-3-4-14(17(19)21)7-10-16(20)13-5-8-15(18)9-6-13/h3-12H,1-2H3/b10-7+
InChIKey FHRCJBOQSUZTEC-JXMROGBWSA-N
Mol Weight 317.83 g/mol
Molecular Formula C17H16ClNOS
Exact Mass 317.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERuC3NnU1Zr
Name (E)-1-(4-chlorophenyl)-3-(1-isopropyl-2-thioxo-3-pyridyl)prop-2-en-1-one
CAS Registry Number 89818-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNOS
InChI InChI=1S/C17H16ClNOS/c1-12(2)19-11-3-4-14(17(19)21)7-10-16(20)13-5-8-15(18)9-6-13/h3-12H,1-2H3/b10-7+
InChIKey FHRCJBOQSUZTEC-JXMROGBWSA-N
Molecular Weight 317.834 g/mol
SMILES C1(N(C=CC=C1\C=C\C(c1ccc(cc1)Cl)=O)C(C)C)=S
SPLASH splash10-0050-0900000000-fe0f558a76ca1d26e72e
Source of Spectrum Y-20-1653-0
Synonyms (E)-1-(4-chlorophenyl)-3-(1-propan-2-yl-2-sulfanylidene-3-pyridinyl)-2-propen-1-one (E)-1-(4-chlorophenyl)-3-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)prop-2-en-1-one
Wiley ID 1317640