| SpectraBase Spectrum ID |
HX8Keztf4N4 |
| Name |
1,3-Dimethyl-8-(4-oxochromen-3-yl)-8,9-dihydro-7H-purine-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.101504943 u |
| Formula |
C16H14N4O4 |
| InChI |
InChI=1S/C16H14N4O4/c1-19-14-11(15(22)20(2)16(19)23)17-13(18-14)9-7-24-10-6-4-3-5-8(10)12(9)21/h3-7,13,17-18H,1-2H3 |
| InChIKey |
FPZWUDVPIXYTTE-UHFFFAOYSA-N |
| Molecular Weight |
326.312 g/mol |
| SMILES |
C1=CC=CC2=C1C(C(C1NC=3C(N(C)C(N(C)C3N1)=O)=O)=CO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884535 |
