| SpectraBase Spectrum ID |
3ldEJNn6MLh |
| Name |
5-Nitro-2-oxo-2H-(1)-benzopyran-6-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.016772260 u |
| Formula |
C10H5NO5 |
| InChI |
InChI=1S/C10H5NO5/c12-5-6-1-3-8-7(10(6)11(14)15)2-4-9(13)16-8/h1-5H |
| InChIKey |
HXNKPVOXKJYTAD-UHFFFAOYSA-N |
| Molecular Weight |
219.152 g/mol |
| SMILES |
C1(N(=O)=O)=C2C=CC(OC2=CC=C1C=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938654 |
