SpectraBase Spectrum ID |
8GNgyaHcMi2 |
Name |
2,3-Dicyano-5-[4-(dibenzylamino)styryl]-6-ethyl-7-methyl-6H-1,4-diazepine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
483.242295954 u |
Formula |
C32H29N5 |
InChI |
InChI=1S/C32H29N5/c1-3-29-24(2)35-31(20-33)32(21-34)36-30(29)19-16-25-14-17-28(18-15-25)37(22-26-10-6-4-7-11-26)23-27-12-8-5-9-13-27/h4-19,29H,3,22-23H2,1-2H3/b19-16+ |
InChIKey |
VWZZSKPLMYGXBX-KNTRCKAVSA-N |
Molecular Weight |
483.619 g/mol |
SMILES |
C=1(N=C(C(C(=NC1C#N)\C=C\C=1C=CC(=CC1)N(CC=1C=CC=CC1)CC=1C=CC=CC1)CC)C)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950942 |