| SpectraBase Compound ID | 5wlBcLh76ZI |
|---|---|
| InChI | InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3 |
| InChIKey | UZSGWJQJDLCCFN-UHFFFAOYSA-N |
| Mol Weight | 145.16 g/mol |
| Molecular Formula | C9H7NO |
| Exact Mass | 145.052764 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBI3nJ6YDc0 |
|---|---|
| Name | 4-Cyanoacetophenone |
| CAS Registry Number | 91054-33-0 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H7NO |
| InChI | InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3 |
| InChIKey | UZSGWJQJDLCCFN-UHFFFAOYSA-N |
| Literature Reference | J. Am. Chem. Soc. 103, 1128 (1981). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Dioxane |