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2-(4-Methyl-benzylsulfanyl)-N-phenyl-acetamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2-(4-Methyl-benzylsulfanyl)-N-phenyl-acetamide
SpectraBase Compound ID 4QR56PiHHMA
InChI InChI=1S/C16H17NOS/c1-13-7-9-14(10-8-13)11-19-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey PVMMVJSOUHDUFL-UHFFFAOYSA-N
Mol Weight 271.38 g/mol
Molecular Formula C16H17NOS
Exact Mass 271.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EagxCTWsC5G
Name 2-(4-Methyl-benzylsulfanyl)-N-phenyl-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.103085344 u
Formula C16H17NOS
InChI InChI=1S/C16H17NOS/c1-13-7-9-14(10-8-13)11-19-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey PVMMVJSOUHDUFL-UHFFFAOYSA-N
SMILES C(NC=1C=CC=CC1)(=O)CSCC1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958999