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

*Links on SpectraBase are not permalinks.

Benzene, [1-(nitromethylene)butyl]-

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

Benzene, [1-(nitromethylene)butyl]-
SpectraBase Compound ID tSeIv14iun
InChI InChI=1S/C11H13NO2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3/b11-9+
InChIKey HUWVHZHBKKDCDD-PKNBQFBNSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID K162J0TJaFD
Name Benzene, [1-(nitromethylene)butyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3/b11-9+
InChIKey HUWVHZHBKKDCDD-PKNBQFBNSA-N
Molecular Weight 191.230 g/mol
SMILES C1(\C(=C\N(=O)=O)CCC)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842378