| SpectraBase Compound ID | AYuPYbgtBtG |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,12H,7H2,1H3 |
| InChIKey | FOVDKSJKIUPIQK-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 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 | 2wJ5LblIJe |
|---|---|
| Name | Butyronitrile, 3-hydroxy-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,12H,7H2,1H3 |
| InChIKey | FOVDKSJKIUPIQK-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1=CC(C(C)(CC#N)O)=CC=C1 |