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Nicotinamide, 5-bromo-N-(2-phenylsulfanylethyl)-
SpectraBase Compound ID BQfGQm0RrgE
InChI InChI=1S/C14H13BrN2OS/c15-12-8-11(9-16-10-12)14(18)17-6-7-19-13-4-2-1-3-5-13/h1-5,8-10H,6-7H2,(H,17,18)
InChIKey GCEQPUDOLRLYRU-UHFFFAOYSA-N
Mol Weight 337.24 g/mol
Molecular Formula C14H13BrN2OS
Exact Mass 335.993197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9bJJT7ra43
Name Nicotinamide, 5-bromo-N-(2-phenylsulfanylethyl)-
CAS Registry Number 10-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BrN2OS
InChI InChI=1S/C14H13BrN2OS/c15-12-8-11(9-16-10-12)14(18)17-6-7-19-13-4-2-1-3-5-13/h1-5,8-10H,6-7H2,(H,17,18)
InChIKey GCEQPUDOLRLYRU-UHFFFAOYSA-N
Molecular Weight 337.235 g/mol
SMILES N(C(c1cc(Br)cnc1)=O)CCSc1ccccc1
SPLASH splash10-000i-1900000000-6674a30cc11de1a4b56b
Synonyms 5-Bromanyl-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide 5-Bromo-N-(2-phenylsulfanyl-ethyl)-nicotinamide 5-Bromo-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide 5-Bromo-N-[2-(phenylthio)ethyl]-3-pyridinecarboxamide 5-Bromo-N-[2-(phenylthio)ethyl]nicotinamide
Wiley ID 1462275