| SpectraBase Spectrum ID |
3A3DqmzBb0Y |
| Name |
2-Hydroxy-2-(4-oxochromen-2-yl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.042593086 u |
| Formula |
C11H7NO3 |
| InChI |
InChI=1S/C11H7NO3/c12-6-9(14)11-5-8(13)7-3-1-2-4-10(7)15-11/h1-5,9,14H |
| InChIKey |
MOEOKWBTHDUWLV-UHFFFAOYSA-N |
| Molecular Weight |
201.181 g/mol |
| SMILES |
C1=C2C(C(C=C(O2)C(C#N)O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926521 |
