| SpectraBase Spectrum ID |
IihtiQvCpdl |
| Name |
6-Nitro-2-oxo-2H-chromen-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.011686879 u |
| Formula |
C10H5NO6 |
| InChI |
InChI=1S/C10H5NO6/c12-9(13)7-4-5-3-6(11(15)16)1-2-8(5)17-10(7)14/h1-4H,(H,12,13) |
| InChIKey |
VZOCWMKJXRWWFI-UHFFFAOYSA-N |
| Molecular Weight |
235.151 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(N(=O)=O)C=C2)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.994374 |
