| SpectraBase Spectrum ID |
3XayscjPP2F |
| Name |
3,8-Dinitro-4,6,7-trimethylcoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.053886044 u |
| Formula |
C12H10N2O6 |
| InChI |
InChI=1S/C12H10N2O6/c1-5-4-8-7(3)10(14(18)19)12(15)20-11(8)9(6(5)2)13(16)17/h4H,1-3H3 |
| InChIKey |
VASSJOMNQJZIQY-UHFFFAOYSA-N |
| Molecular Weight |
278.220 g/mol |
| SMILES |
N(=O)(=O)C=1C(OC=2C(=C(C(=CC2C1C)C)C)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.977977 |
