| SpectraBase Spectrum ID |
GojtXECy8DJ |
| Name |
4-Methyl-3,5-dinitrobenzoic acid |
| Alternate Name(s) |
3,5-Dinitro-p-toluic acid
Benzoic acid, 4-methyl-3,5-dinitro-
p-Toluic acid, 3,5-dinitro-
AI3-14622
EINECS 240-603-8 |
| CAS Registry Number |
16533-71-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H6N2O6 |
| InChI |
InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12) |
| InChIKey |
LZWWZQXBKVZKIP-UHFFFAOYSA-N |
| Molecular Weight |
226.144 g/mol |
| SMILES |
OC(=O)c1cc(N(=O)=O)c(C)c(N(=O)=O)c1 |
| SPLASH |
splash10-0bt9-9040000000-17bbcd8242099880e124 |
| Source of Spectrum |
IC-594-0-0 |
| Wiley ID |
1226757 |
