![4-CYANOBENZYLACETATE;4-[(ACETYLOXY)-METHYL]-BENZONITRILE](/api/spectrum/JMXE3hVFPJ6/structure.png?h=300&w=458 "4-CYANOBENZYLACETATE;4-[(ACETYLOXY)-METHYL]-BENZONITRILE")
| SpectraBase Compound ID | HClwlhUbZV3 |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-8(12)13-7-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3 |
| InChIKey | GNYSLHQZULGATB-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMXE3hVFPJ6 |
|---|---|
| Name | 4-Cyanobenzylacetate |
| CAS Registry Number | 21388-95-4 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-8(12)13-7-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3 |
| InChIKey | GNYSLHQZULGATB-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Tetrahedron Lett. 25, 169 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |