| SpectraBase Compound ID | Er7YSNUPfCJ |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-10(14)15-8-2-3-11-4-6-12(9-13)7-5-11/h2-7H,8H2,1H3/b3-2+ |
| InChIKey | YSJLZWPTVPORTG-NSCUHMNNSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cmd2wU05exn |
|---|---|
| Name | (E)-3-(4-Cyanophenyl)allyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-10(14)15-8-2-3-11-4-6-12(9-13)7-5-11/h2-7H,8H2,1H3/b3-2+ |
| InChIKey | YSJLZWPTVPORTG-NSCUHMNNSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C(OC(C)=O)\C=C\C=1C=CC(=CC1)C#N |