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N-butyl-2-phenyl-2-(2-pyridinylthio)acetamide

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

N-butyl-2-phenyl-2-(2-pyridinylthio)acetamide
SpectraBase Compound ID 93i3BQUuv0X
InChI InChI=1S/C17H20N2OS/c1-2-3-12-19-17(20)16(14-9-5-4-6-10-14)21-15-11-7-8-13-18-15/h4-11,13,16H,2-3,12H2,1H3,(H,19,20)
InChIKey ILHRNTVZLDXYJQ-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C17H20N2OS
Exact Mass 300.129634 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Vxt9oZqKHg
Name N-Butyl-2-phenyl-2-(2-pyridinylthio)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.129634445 u
Formula C17H20N2OS
InChI InChI=1S/C17H20N2OS/c1-2-3-12-19-17(20)16(14-9-5-4-6-10-14)21-15-11-7-8-13-18-15/h4-11,13,16H,2-3,12H2,1H3,(H,19,20)
InChIKey ILHRNTVZLDXYJQ-UHFFFAOYSA-N
SMILES C(C(=O)NCCCC)(SC1=NC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887521