| SpectraBase Spectrum ID |
6ofWMH5ehc8 |
| Name |
1H-Pyrido[4,3-B]azepine, 2,3,4,5,6,7,8,9-octahydro-1-phenyl-7-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.209598845 u |
| Formula |
C22H26N2 |
| InChI |
InChI=1S/C22H26N2/c1-3-9-19(10-4-1)17-23-16-14-22-20(18-23)11-7-8-15-24(22)21-12-5-2-6-13-21/h1-6,9-10,12-13H,7-8,11,14-18H2 |
| InChIKey |
PPAUROGNNCRNMC-UHFFFAOYSA-N |
| Molecular Weight |
318.464 g/mol |
| SMILES |
C1=CC=C(C=C1)CN1CC2=C(N(CCCC2)C=2C=CC=CC2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951902 |
![1H-Pyrido[4,3-b]azepine, 2,3,4,5,6,7,8,9-octahydro-1-phenyl-7-(phenylmethyl)-](/api/spectrum/6ofWMH5ehc8/structure.png?h=300&w=458 "1H-Pyrido[4,3-b]azepine, 2,3,4,5,6,7,8,9-octahydro-1-phenyl-7-(phenylmethyl)-")
