For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzyl(4-nitrophenyl)sulfane

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

Benzyl(4-nitrophenyl)sulfane
SpectraBase Compound ID 3APE3cH20ek
InChI InChI=1S/C13H11NO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey OIWYQDTUUYUAOX-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7vwmYSMP71S
Name Benzyl(4-nitrophenyl)sulfane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.051049770 u
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey OIWYQDTUUYUAOX-UHFFFAOYSA-N
Molecular Weight 245.296 g/mol
SMILES C=1C(CSC=2C=CC(=CC2)[N+]([O-])=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837412