| SpectraBase Compound ID | Ct4JIqjayv8 |
|---|---|
| InChI | InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Mol Weight | 167.12 g/mol |
| Molecular Formula | C7H5NO4 |
| Exact Mass | 167.021858 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8QEUUu7Hmi |
|---|---|
| Name | 3-Nitro-benzoic acid |
| CAS Registry Number | 121-92-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H5NO4 |
| InChI | InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Literature Reference | Spectrosc. Lett. 19, 91 (1986). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | DMSO |