| SpectraBase Compound ID | 1rlc0ZIcjbN |
|---|---|
| InChI | InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3 |
| InChIKey | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLXwpQx2AS8 |
|---|---|
| Name | 4-Nitroacetophenone |
| CAS Registry Number | 100-19-6 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3 |
| InChIKey | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Literature Reference | J. Am. Chem. Soc. 103, 1128 (1981). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Dioxane |