| SpectraBase Spectrum ID |
DmTf1x94mFQ |
| Name |
1-Benzyl-2,4,6-triphenyl-2,3-dihydropyrazolo[3,4-B][1,4]diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.215746853 u |
| Formula |
C31H26N4 |
| InChI |
InChI=1S/C31H26N4/c1-5-13-25(14-6-1)22-35-31-30(24-34(35)29-19-11-4-12-20-29)33(28-17-9-3-10-18-28)23-27(21-32-31)26-15-7-2-8-16-26/h1-21,23H,22,24H2 |
| InChIKey |
RNULWFXBBLNDLH-UHFFFAOYSA-N |
| Molecular Weight |
454.577 g/mol |
| SMILES |
C12=C(N(CC=3C=CC=CC3)N(C1)C=1C=CC=CC1)N=CC(=CN2C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911443 |
![1-Benzyl-2,4,6-triphenyl-2,3-dihydropyrazolo[3,4-b][1,4]diazepine](/api/spectrum/DmTf1x94mFQ/structure.png?h=300&w=458 "1-Benzyl-2,4,6-triphenyl-2,3-dihydropyrazolo[3,4-b][1,4]diazepine")
