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Acetamide, 2-phenylthio-N-octyl-

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

Acetamide, 2-phenylthio-N-octyl-
SpectraBase Compound ID BjmylsOXe0d
InChI InChI=1S/C16H25NOS/c1-2-3-4-5-6-10-13-17-16(18)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey MPCKYGBFRFSDSP-UHFFFAOYSA-N
Mol Weight 279.44 g/mol
Molecular Formula C16H25NOS
Exact Mass 279.165686 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID wgvh9ohNsE
Name Acetamide, 2-phenylthio-N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.165685602 u
Formula C16H25NOS
InChI InChI=1S/C16H25NOS/c1-2-3-4-5-6-10-13-17-16(18)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey MPCKYGBFRFSDSP-UHFFFAOYSA-N
Molecular Weight 279.442 g/mol
SMILES C(=O)(NCCCCCCCC)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803484