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5-[4-(4-bromo-phenyl)-2-piperidino-thiazol-5-yl]-1,3,5-triphenyl-penta-2,4-diene-1-one
SpectraBase Compound ID EKpMNB3mObY
InChI InChI=1S/C37H31BrN2OS/c38-32-21-19-30(20-22-32)35-36(42-37(39-35)40-23-11-4-12-24-40)33(28-15-7-2-8-16-28)25-31(27-13-5-1-6-14-27)26-34(41)29-17-9-3-10-18-29/h1-3,5-10,13-22,25-26H,4,11-12,23-24H2
InChIKey SHKNTUZTISIYJK-UHFFFAOYSA-N
Mol Weight 631.6 g/mol
Molecular Formula C37H31BrN2OS
Exact Mass 630.134048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHt5ajXnqso
Name 5-[4-(4-bromo-phenyl)-2-piperidino-thiazol-5-yl]-1,3,5-triphenyl-penta-2,4-diene-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H31BrN2OS
InChI InChI=1S/C37H31BrN2OS/c38-32-21-19-30(20-22-32)35-36(42-37(39-35)40-23-11-4-12-24-40)33(28-15-7-2-8-16-28)25-31(27-13-5-1-6-14-27)26-34(41)29-17-9-3-10-18-29/h1-3,5-10,13-22,25-26H,4,11-12,23-24H2
InChIKey SHKNTUZTISIYJK-UHFFFAOYSA-N
Molecular Weight 631.632 g/mol
SMILES C(c1ccccc1)(C=C(c1ccccc1)C=C(c1ccccc1)c1c(nc(s1)N1CCCCC1)-c1ccc(cc1)Br)=O
SPLASH splash10-057i-9600040000-2713830df9d03061f2cc
Source of Spectrum JF-331-850-8n
Synonyms 5-(4-(4-bromophenyl)-2-(piperidin-1-yl)thiazol-5-yl)-1,3,5-triphenylpenta-2,4-dien-1-one
Wiley ID 1791769