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Propanamide, 2-phenylthio-N-(4-chlorobenzyl)-

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

Propanamide, 2-phenylthio-N-(4-chlorobenzyl)-
SpectraBase Compound ID BGLJ4reBSea
InChI InChI=1S/C16H16ClNOS/c1-12(20-15-5-3-2-4-6-15)16(19)18-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKey OITWHIBCKVYSPO-UHFFFAOYSA-N
Mol Weight 305.82 g/mol
Molecular Formula C16H16ClNOS
Exact Mass 305.064113 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BMmA2OYqtGF
Name Propanamide, 2-phenylthio-N-(4-chlorobenzyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.064113012 u
Formula C16H16ClNOS
InChI InChI=1S/C16H16ClNOS/c1-12(20-15-5-3-2-4-6-15)16(19)18-11-13-7-9-14(17)10-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKey OITWHIBCKVYSPO-UHFFFAOYSA-N
Molecular Weight 305.823 g/mol
SMILES C(NCC=1C=CC(=CC1)Cl)(C(SC1=CC=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936117