| SpectraBase Compound ID | IoV20p0Opqb |
|---|---|
| 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 |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOAb6pWN5rn |
|---|---|
| Name | 4-METHYL-3-NITRO-BENZOIC-ACID |
| Compound Number | 1437 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 181.148 g/mol |
| Sample ID | 170 |
| Solvent | DMSO-D6 |