| SpectraBase Compound ID | 7I9kWrhTiWl |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | KZLLSSGOPIGKDO-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K13YKFrEOTL |
|---|---|
| Name | 4-Methyl-2-nitrobenzoic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | KZLLSSGOPIGKDO-UHFFFAOYSA-N |
| Molecular Weight | 181.147 g/mol |
| SMILES | OC(c1c([N+]([O-])=O)cc(cc1)C)=O |
| SPLASH | splash10-03di-9800000000-0327348b99c31bb527d4 |
| Source of Spectrum | IC-394-0-0 |
| Wiley ID | 1177262 |