| SpectraBase Spectrum ID |
6bFgBQeL1so |
| Name |
1,5-Dihydro-1,3,10-trimethyl-5-nitromethyl-pyrimido[4,5-B]quinolin-2,4(3H,10H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.117155007 u |
| Formula |
C15H16N4O4 |
| InChI |
InChI=1S/C15H16N4O4/c1-16-11-7-5-4-6-9(11)10(8-19(22)23)12-13(16)17(2)15(21)18(3)14(12)20/h4-7,10H,8H2,1-3H3 |
| InChIKey |
QNSBMRQQKCKBHL-UHFFFAOYSA-N |
| Molecular Weight |
316.317 g/mol |
| SMILES |
C1=2N(C=3C=CC=CC3C(C2C(N(C(N1C)=O)C)=O)C[N+](=O)[O-])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947245 |
![1,5-Dihydro-1,3,10-trimethyl-5-nitromethyl-pyrimido[4,5-b]quinolin-2,4(3H,10H)-dione](/api/spectrum/6bFgBQeL1so/structure.png?h=300&w=458 "1,5-Dihydro-1,3,10-trimethyl-5-nitromethyl-pyrimido[4,5-b]quinolin-2,4(3H,10H)-dione")
