| SpectraBase Spectrum ID |
IS9frGXrcVi |
| Name |
2,3,5,6,7,8-Hexahydro-6,7-bis(1,3-dioxabuty)-2-phenyl-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.143035402 u |
| Formula |
C16H21N3O6 |
| InChI |
InChI=1S/C16H21N3O6/c1-22-10-24-13-8-17-15(20)19(12-6-4-3-5-7-12)16(21)18(17)9-14(13)25-11-23-2/h3-7,13-14H,8-11H2,1-2H3 |
| InChIKey |
NWDVIGUFJJHZSW-UHFFFAOYSA-N |
| Molecular Weight |
351.359 g/mol |
| SMILES |
COCOC1C(CN2C(=O)N(C(N2C1)=O)C1=CC=CC=C1)OCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85863 |
![2,3,5,6,7,8-Hexahydro-6,7-bis(1,3-dioxabuty)-2-phenyl-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3-dione](/api/spectrum/IS9frGXrcVi/structure.png?h=300&w=458 "2,3,5,6,7,8-Hexahydro-6,7-bis(1,3-dioxabuty)-2-phenyl-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3-dione")
