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

*Links on SpectraBase are not permalinks.
1-Methoxy-4-(nitromethyl)benzene
SpectraBase Compound ID El1a4fNXaHp
InChI InChI=1S/C8H9NO3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
InChIKey UJCOXURVZQOGFN-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ecc82opxiso
Name 1-Methoxy-4-(nitromethyl)benzene
CAS Registry Number 29559-26-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
InChIKey UJCOXURVZQOGFN-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES C(N(=O)=O)c1ccc(cc1)OC
SPLASH splash10-00di-0900000000-3031f427d14828fd7eb7
Source of Spectrum J-53-2873-2
Synonyms Benzene, 1-methoxy-4-(nitromethyl)-
Wiley ID 1163542