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Acetamide, 2-(3-bromobenzylthio)-N-(3-pyridyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Acetamide, 2-(3-bromobenzylthio)-N-(3-pyridyl)-
SpectraBase Compound ID JsC299pgIu
InChI InChI=1S/C14H13BrN2OS/c15-12-4-1-3-11(7-12)9-19-10-14(18)17-13-5-2-6-16-8-13/h1-8H,9-10H2,(H,17,18)
InChIKey DBMCOEMIBKUMNC-UHFFFAOYSA-N
Mol Weight 337.24 g/mol
Molecular Formula C14H13BrN2OS
Exact Mass 335.993197 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CYMqwdsKoMJ
Name Acetamide, 2-(3-bromobenzylthio)-N-(3-pyridyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.993197220 u
Formula C14H13BrN2OS
InChI InChI=1S/C14H13BrN2OS/c15-12-4-1-3-11(7-12)9-19-10-14(18)17-13-5-2-6-16-8-13/h1-8H,9-10H2,(H,17,18)
InChIKey DBMCOEMIBKUMNC-UHFFFAOYSA-N
Molecular Weight 337.235 g/mol
SMILES C(NC=1C=NC=CC1)(=O)CSCC=1C=CC=C(C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91576