| SpectraBase Spectrum ID |
EOqUQlVbJdD |
| Name |
8-Nitro-3,7,10-trimethyl-benzo[G]pteridin-2,4(3H10H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.081103850 u |
| Formula |
C13H11N5O4 |
| InChI |
InChI=1S/C13H11N5O4/c1-6-4-7-9(5-8(6)18(21)22)16(2)11-10(14-7)12(19)17(3)13(20)15-11/h4-5H,1-3H3 |
| InChIKey |
BRAAKOPAFGYMNP-UHFFFAOYSA-N |
| Molecular Weight |
301.262 g/mol |
| SMILES |
C12=CC(C)=C(C=C2N(C=2C(=N1)C(N(C(N2)=O)C)=O)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897747 |
![8-Nitro-3,7,10-trimethyl-benzo[G]pteridin-2,4(3H10H)-dione](/api/spectrum/EOqUQlVbJdD/structure.png?h=300&w=458 "8-Nitro-3,7,10-trimethyl-benzo[G]pteridin-2,4(3H10H)-dione")
