| SpectraBase Spectrum ID |
84AcejzTTAJ |
| Name |
1-(Phenylmethyl)-2,3,4,5,6,7-hexahydro-1-benzazonine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.183049745 u |
| Formula |
C19H23N |
| InChI |
InChI=1S/C19H23N/c1-2-9-15-20(16-17-10-4-3-5-11-17)19-14-8-7-13-18(19)12-6-1/h3-5,7-8,10-11,13-14H,1-2,6,9,12,15-16H2 |
| InChIKey |
UXGZDERXOFCYAL-UHFFFAOYSA-N |
| Molecular Weight |
265.400 g/mol |
| SMILES |
C1N(C=2C(CCCCC1)=CC=CC2)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937327 |
