| SpectraBase Spectrum ID |
COKBkTW3otG |
| Name |
N-Pentyl-3-methoxyphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.177964364 u |
| Formula |
C14H23NO |
| InChI |
InChI=1S/C14H23NO/c1-3-4-5-10-15-11-9-13-7-6-8-14(12-13)16-2/h6-8,12,15H,3-5,9-11H2,1-2H3 |
| InChIKey |
OKZCDMIQAQJEEE-UHFFFAOYSA-N |
| Molecular Weight |
221.344 g/mol |
| SMILES |
C=1(C=C(C=CC1)OC)CCNCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963811 |
