| SpectraBase Spectrum ID |
EZuyRC2Ln7q |
| Name |
Hexanenitrile, 2-amino-3-(dibenzylamino)-5-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.220497881 u |
| Formula |
C21H27N3 |
| InChI |
InChI=1S/C21H27N3/c1-17(2)13-21(20(23)14-22)24(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-21H,13,15-16,23H2,1-2H3 |
| InChIKey |
KGWMXQUJKIWDJQ-UHFFFAOYSA-N |
| Molecular Weight |
321.468 g/mol |
| SMILES |
C(N)(C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)CC(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96442 |
