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

*Links on SpectraBase are not permalinks.
3,5-Dimethyl-4-nitrobenzoic acid
SpectraBase Compound ID nxXmYOtWA6
InChI InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey RBAVFNOGEPCOQI-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 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 HGsmHb1f2E4
Name Benzoic acid, 3,5-dimethyl-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey RBAVFNOGEPCOQI-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES OC(c1cc(C)c(c(c1)C)[N+]([O-])=O)=O
SPLASH splash10-0kc5-8900000000-678cc391f9b9398aba5e
Source of Spectrum JX-2015-5-399
Synonyms 3,5-Dimethyl-4-nitrobenzoic acid
Wiley ID 1727224