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Acetamide, 2-phenylthio-N-hexyl-

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

Acetamide, 2-phenylthio-N-hexyl-
SpectraBase Compound ID JKT0kh7Umr9
InChI InChI=1S/C14H21NOS/c1-2-3-4-8-11-15-14(16)12-17-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,15,16)
InChIKey JBQCUWVUZJHLDR-UHFFFAOYSA-N
Mol Weight 251.39 g/mol
Molecular Formula C14H21NOS
Exact Mass 251.134385 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KrKEQzplO9K
Name Acetamide, 2-phenylthio-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.134385473 u
Formula C14H21NOS
InChI InChI=1S/C14H21NOS/c1-2-3-4-8-11-15-14(16)12-17-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,15,16)
InChIKey JBQCUWVUZJHLDR-UHFFFAOYSA-N
Molecular Weight 251.388 g/mol
SMILES C(=O)(NCCCCCC)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915078