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Cyclohexyl(2-nitro-1-phenylethyl)sulfide

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

Cyclohexyl(2-nitro-1-phenylethyl)sulfide
SpectraBase Compound ID Fs1cwi0GTZX
InChI InChI=1S/C14H19NO2S/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey QABUYYDPXFOFMN-UHFFFAOYSA-N
Mol Weight 265.37 g/mol
Molecular Formula C14H19NO2S
Exact Mass 265.11365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JV9zOtyJJGH
Name Cyclohexyl(2-nitro-1-phenylethyl)sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.113650028 u
Formula C14H19NO2S
InChI InChI=1S/C14H19NO2S/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey QABUYYDPXFOFMN-UHFFFAOYSA-N
SMILES C(N(=O)=O)C(SC1CCCCC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824062