| SpectraBase Spectrum ID |
9sbqcPpsRXF |
| Name |
6-Hydroxy-3-(p-nitrophenyl)coumarin, acetic acid solvate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.069201756 u |
| Formula |
C17H13NO7 |
| InChI |
InChI=1S/C15H9NO5.C2H4O2/c17-12-5-6-14-10(7-12)8-13(15(18)21-14)9-1-3-11(4-2-9)16(19)20;1-2(3)4/h1-8,17H;1H3,(H,3,4) |
| InChIKey |
ILLBLYVPHFDUIY-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C=1C=CC(C=2C(OC=3C=CC(=CC3C2)O)=O)=CC1.OC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.958988 |
