| SpectraBase Spectrum ID |
BnqIxuByAos |
| Name |
4H-1-Benzopyran-4-one, 3-(2,4-dinitrophenyl)-5-hydroxy-6,7-dimethoxy-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.069930030 u |
| Formula |
C18H14N2O9 |
| InChI |
InChI=1S/C18H14N2O9/c1-8-14(10-5-4-9(19(23)24)6-11(10)20(25)26)16(21)15-12(29-8)7-13(27-2)18(28-3)17(15)22/h4-7,22H,1-3H3 |
| InChIKey |
TXHYROXEGUMACT-UHFFFAOYSA-N |
| Molecular Weight |
402.315 g/mol |
| SMILES |
C=1(C(C2=C(C(OC)=C(C=C2OC1C)OC)O)=O)C=1C(N(=O)=O)=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94063 |
