| SpectraBase Spectrum ID |
LfSIBo7eGBs |
| Name |
4H-1-Benzopyran-2-carboxamide, 4-oxo-N-(4-oxo-4H-1-benzopyran-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.063722453 u |
| Formula |
C19H11NO5 |
| InChI |
InChI=1S/C19H11NO5/c21-13-9-17(24-15-7-3-1-5-11(13)15)19(23)20-18-10-14(22)12-6-2-4-8-16(12)25-18/h1-10H,(H,20,23) |
| InChIKey |
MZZLRFWGSKXBQO-UHFFFAOYSA-N |
| Molecular Weight |
333.299 g/mol |
| SMILES |
C1(=CC(=O)C=2C(O1)=CC=CC2)NC(C1=CC(=O)C=2C(O1)=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963692 |
