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3-Dimethylamino-1-{2-[(3-chloro-4-fluoro-phenyl)-methyl-amino]-4-methyl-thiazol-5-yl}-prop-2-en-1-one
SpectraBase Compound ID AYrRCpmM2Bm
InChI InChI=1S/C16H17ClFN3OS/c1-10-15(14(22)7-8-20(2)3)23-16(19-10)21(4)11-5-6-13(18)12(17)9-11/h5-9H,1-4H3/b8-7+
InChIKey CMSUXFQSWWPWLT-BQYQJAHWSA-N
Mol Weight 353.84 g/mol
Molecular Formula C16H17ClFN3OS
Exact Mass 353.076489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wVC9sgnCEx
Name 3-Dimethylamino-1-{2-[(3-chloro-4-fluoro-phenyl)-methyl-amino]-4-methyl-thiazol-5-yl}-prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClFN3OS
InChI InChI=1S/C16H17ClFN3OS/c1-10-15(14(22)7-8-20(2)3)23-16(19-10)21(4)11-5-6-13(18)12(17)9-11/h5-9H,1-4H3/b8-7+
InChIKey CMSUXFQSWWPWLT-BQYQJAHWSA-N
Literature Reference DOI 10.1002/ardp.201000238
Molecular Weight 353.843 g/mol
SMILES c1(sc(c(n1)C)C(\C=C\N(C)C)=O)N(c1ccc(c(c1)Cl)F)C
SPLASH splash10-0pba-5904000000-f38905ef8991fb1bab43
Source of Spectrum APC-344-679-4h
Synonyms (E)-1-(2-((3-chloro-4-fluorophenyl)(methyl)amino)-4-methylthiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one
Wiley ID 1769141