SpectraBase Spectrum ID |
DioNXEunVtK |
Name |
Pyrrolo[3,4-C]pyrazole-4,6(1H,5H)-dione, tetrahydro-1,3,5-triphenyl-, (3.alpha.,3A.beta.,6A.beta.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
369.147726862 u |
Formula |
C23H19N3O2 |
InChI |
InChI=1S/C23H19N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19-21,24H |
InChIKey |
PYNWTVUOAFDIOE-UHFFFAOYSA-N |
Molecular Weight |
369.424 g/mol |
SMILES |
C12C(C(=O)N(C2=O)C=2C=CC=CC2)C(C2=CC=CC=C2)NN1C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95671 |