| SpectraBase Spectrum ID |
OyK7Gc6KOh |
| Name |
N-Heptyl-3-methoxyphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.209264492 u |
| Formula |
C16H27NO |
| InChI |
InChI=1S/C16H27NO/c1-3-4-5-6-7-12-17-13-11-15-9-8-10-16(14-15)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3 |
| InChIKey |
XHGMRKYULDRVGG-UHFFFAOYSA-N |
| Molecular Weight |
249.398 g/mol |
| SMILES |
C=1(C=C(C=CC1)OC)CCNCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935541 |
