| SpectraBase Spectrum ID |
mwLM0nM7js |
| Name |
1-Benzyl-6-hydroxy-4-methyl-2(1H)-oxo-3-pyridinecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.089877632 u |
| Formula |
C14H12N2O2 |
| InChI |
InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3 |
| InChIKey |
YSQOCAKXILHFQX-UHFFFAOYSA-N |
| Molecular Weight |
240.262 g/mol |
| SMILES |
C1=CC=C(C=C1)CN1C(C(C#N)=C(C=C1O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923012 |
