| SpectraBase Spectrum ID |
DZKBuJJSVdW |
| Name |
3-(3-Aminophenyl)-2H-1-benzopyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.078978596 u |
| Formula |
C15H11NO2 |
| InChI |
InChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2 |
| InChIKey |
RHAQPESVLRVQJU-UHFFFAOYSA-N |
| Molecular Weight |
237.258 g/mol |
| SMILES |
C1(N)=CC(=CC=C1)C1=CC2=C(C=CC=C2)OC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942863 |
