| SpectraBase Spectrum ID |
9glq0NpZtfX |
| Name |
N-Octyl-amphetamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.229999938 u |
| Formula |
C17H29N |
| InChI |
InChI=1S/C17H29N/c1-3-4-5-6-7-11-14-18-16(2)15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3 |
| InChIKey |
GFOPLUYIKLYLKO-UHFFFAOYSA-N |
| Molecular Weight |
247.426 g/mol |
| SMILES |
C1(CC(NCCCCCCCC)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973881 |