| SpectraBase Compound ID | 7JbifXCkJ0n |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39JhRyCsyW8 |
|---|---|
| Name | 6-nitro-m-toluic acid |
| Source of Sample | Calbiochem, Los Angeles, California |
| CAS Registry Number | 3113-72-2 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 2786M |
| Solvent | TFA |
| Synonyms | BENZOIC ACID, 5-METHYL-2-NITRO-, M-TOLUIC ACID, 6-NITRO-, |