| SpectraBase Compound ID | 1YZA7UDcCJn |
|---|---|
| InChI | InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | BPZVSOOQLVSCDF-UHFFFAOYSA-N |
| Mol Weight | 213.21 g/mol |
| Molecular Formula | C8H7NO4S |
| Exact Mass | 213.009579 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3rXpXqFGcT |
|---|---|
| Name | 4-(methylthio)-3-nitrobenzoic acid |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO4S |
| InChI | InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | BPZVSOOQLVSCDF-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 7387M |
| Solvent | DMSO-d6 |
| Synonyms | BENZOIC ACID, 4-/METHYLTHIO/-3- NITRO-, |