| 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 | JkZK09Aq9AM |
|---|---|
| Name | 3-Nitro-4-methyl-benzoic acid |
| CAS Registry Number | 96-98-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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 |
| Instrument Name | Jeol FX-100 |
| NMR Standard | (CH3)6 Si2O |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |