| SpectraBase Spectrum ID |
FK1dJmTRH2r |
| Name |
2-Hydroxy-2-(4-oxochromen-3-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/c12-5-9(13)8-6-15-10-4-2-1-3-7(10)11(8)14/h1-4,6,9,13H |
| InChIKey |
FWSBUDGVKHBJMM-UHFFFAOYSA-N |
| Molecular Weight |
201.181 g/mol |
| SMILES |
C1=CC=CC2=C1C(C(C(C#N)O)=CO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911446 |
