| SpectraBase Spectrum ID |
5yw6qXPJK0x |
| Name |
Benzoic acid, 4-methyl-3-nitro- |
| Alternate Name(s) |
3-Nitro-4-methylbenzoic acid
3-Nitro-p-toluic acid
3-Nitro-para-toluic acid
4-Methyl-3-nitro-benzoic acid
M-nitro-p-toluic acid
p-Toluic acid, 3-nitro-
EINECS 202-549-3
NSC 50659 |
| CAS Registry Number |
96-98-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7NO4 |
| InChI |
InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey |
BBEWSMNRCUXQRF-UHFFFAOYSA-N |
| Molecular Weight |
181.147 g/mol |
| SMILES |
OC(c1cc(N(=O)=O)c(cc1)C)=O |
| SPLASH |
splash10-02ti-9300000000-ccc128f255ea6d7f8eb8 |
| Source of Spectrum |
W5-12525-0-0 |
| Wiley ID |
1177263 |
