| SpectraBase Compound ID | 7J5PLljFHB3 |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-11(15)16-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9H2,1H3 |
| InChIKey | PEXCHSVVSJPBIZ-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8IPZ81KMflI |
|---|---|
| Name | 5-Acetoxy-5-phenylpentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-11(15)16-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9H2,1H3 |
| InChIKey | PEXCHSVVSJPBIZ-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C(#N)CCCC(OC(=O)C)C=1C=CC=CC1 |