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N-[2-(4-Methylphenylthio)ethyl]propionamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-[2-(4-Methylphenylthio)ethyl]propionamide
SpectraBase Compound ID CbwApnARbbR
InChI InChI=1S/C12H17NOS/c1-3-12(14)13-8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKey PGQPABUDWJJDLT-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kla2dck31OO
Name N-[2-(4-Methylphenylthio)ethyl]propionamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.103085344 u
Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-3-12(14)13-8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKey PGQPABUDWJJDLT-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES C1=C(C=CC(=C1)SCCNC(CC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866477