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Acetamide, N-[3-cyano-2-(phenylthio)propyl]-

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

Acetamide, N-[3-cyano-2-(phenylthio)propyl]-
SpectraBase Compound ID ElOfNvlrHEs
InChI InChI=1S/C12H14N2OS/c1-10(15)14-9-12(7-8-13)16-11-5-3-2-4-6-11/h2-6,12H,7,9H2,1H3,(H,14,15)
InChIKey LKFWKXIUZZIWFZ-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C12H14N2OS
Exact Mass 234.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gk0HZUeDsO
Name Acetamide, N-[3-cyano-2-(phenylthio)propyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.082684252 u
Formula C12H14N2OS
InChI InChI=1S/C12H14N2OS/c1-10(15)14-9-12(7-8-13)16-11-5-3-2-4-6-11/h2-6,12H,7,9H2,1H3,(H,14,15)
InChIKey LKFWKXIUZZIWFZ-UHFFFAOYSA-N
Molecular Weight 234.317 g/mol
SMILES C(#N)CC(SC=1C=CC=CC1)CNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93442