| SpectraBase Spectrum ID |
8djyiGKVX71 |
| Name |
2,3-Dicyano-5-[4-(dimethylamino)phenyl]-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 |
277.132745503 u |
| Formula |
C16H15N5 |
| InChI |
InChI=1S/C16H15N5/c1-11-8-14(20-16(10-18)15(9-17)19-11)12-4-6-13(7-5-12)21(2)3/h4-7H,8H2,1-3H3 |
| InChIKey |
WGMPJXKCIAZMTG-UHFFFAOYSA-N |
| Molecular Weight |
277.331 g/mol |
| SMILES |
C=1(N=C(CC(=NC1C#N)C=1C=CC(=CC1)N(C)C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929406 |
![2,3-Dicyano-5-[4-(dimethylamino)phenyl]-7-methyl-6H-1,4-diazepine](/api/spectrum/8djyiGKVX71/structure.png?h=300&w=458 "2,3-Dicyano-5-[4-(dimethylamino)phenyl]-7-methyl-6H-1,4-diazepine")
