| SpectraBase Spectrum ID |
LvtUrUUtjmo |
| Name |
1-Benzyl-2,7-dicyanoperhydroazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.142247559 u |
| Formula |
C15H17N3 |
| InChI |
InChI=1S/C15H17N3/c16-10-14-8-4-5-9-15(11-17)18(14)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-9,12H2 |
| InChIKey |
SDMDRSASCXCSID-UHFFFAOYSA-N |
| Molecular Weight |
239.322 g/mol |
| SMILES |
C1(N(C(CCCC1)C#N)CC=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853843 |
