| SpectraBase Spectrum ID |
Lhl2vfQS8nX |
| Name |
5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2,5,8-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.163376926 u |
| Formula |
C25H21N3O2 |
| InChI |
InChI=1S/C25H21N3O2/c29-22-26(21-14-8-3-9-15-21)23(30)28-25(20-12-6-2-7-13-20)17-16-24(18-25,27(22)28)19-10-4-1-5-11-19/h1-15H,16-18H2/t24-,25+ |
| InChIKey |
UHXAIXLNWPDJPW-PLQXJYEYSA-N |
| Molecular Weight |
395.462 g/mol |
| SMILES |
C1[C@@]2(N3N([C@](C1)(C2)C=1C=CC=CC1)C(N(C3=O)C1=CC=CC=C1)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884277 |
![5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2,5,8-triphenyl-](/api/spectrum/Lhl2vfQS8nX/structure.png?h=300&w=458 "5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2,5,8-triphenyl-")
