SpectraBase Spectrum ID |
1wwHTvcEb42 |
Name |
(5-N-Methyl)-11-aniline-5H-dibenzo[B,E][1,4]diazepines |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
299.142247559 u |
Formula |
C20H17N3 |
InChI |
InChI=1S/C20H17N3/c1-23-18-8-4-2-6-16(18)20(14-10-12-15(21)13-11-14)22-17-7-3-5-9-19(17)23/h2-13H,21H2,1H3 |
InChIKey |
NCVLGGZVXDYCJO-UHFFFAOYSA-N |
SMILES |
C1(=NC2=C(N(C3=C1C=CC=C3)C)C=CC=C2)C1=CC=C(C=C1)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966781 |