| SpectraBase Compound ID | 9Z3IJ6YqZZM |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-8(12)7-13-10-5-3-2-4-9(10)6-11/h2-5H,7H2,1H3 |
| InChIKey | GOFWLYXRIRQRBK-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 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 | 9hV6jncXjNO |
|---|---|
| Name | 2-(2-Oxopropoxy)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-8(12)7-13-10-5-3-2-4-9(10)6-11/h2-5H,7H2,1H3 |
| InChIKey | GOFWLYXRIRQRBK-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=CC=C(C#N)C(OCC(=O)C)=C1 |