| SpectraBase Spectrum ID |
54q7y3tcMpV |
| Name |
1,2,3,4-Tetrahydroquinoxalin-2-one, 6,7-dimethyl-1-ribityl-3-ureidocarbonyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.148849057 u |
| Formula |
C17H22N4O7 |
| InChI |
InChI=1S/C17H22N4O7/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)16(27)13(19-9)15(26)20-17(18)28/h3-4,6,11-14,19,23-25H,5H2,1-2H3,(H3,18,20,26,28) |
| InChIKey |
BPWJKBPCZNJBJW-UHFFFAOYSA-N |
| Molecular Weight |
394.384 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)NC(C(N2CC(C(C(C=O)O)O)O)=O)C(NC(N)=O)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918775 |
