| SpectraBase Compound ID | A6hMuuoUySt |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYR8bx5n8ki |
|---|---|
| Name | 4-Nitro-benzoic acid, methyl ester |
| CAS Registry Number | 619-50-1 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |