| SpectraBase Compound ID | 2vwDA8qiyNR |
|---|---|
| InChI | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| Mol Weight | 120.15 g/mol |
| Molecular Formula | C8H8O |
| Exact Mass | 120.057515 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChcyJNJ7dRQ |
|---|---|
| Name | Acetophenone |
| CAS Registry Number | 98-86-2 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8O |
| InChI | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| Literature Reference | J. Am. Chem. Soc. 103, 1128 (1981). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Neat liquid |