| SpectraBase Spectrum ID |
FpSpZFmaY1w |
| Name |
N-Pentyl-2,5-dimethoxy-4-(propylthio)phenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.207550414 u |
| Formula |
C18H31NO2S |
| InChI |
InChI=1S/C18H31NO2S/c1-5-7-8-10-19-11-9-15-13-17(21-4)18(22-12-6-2)14-16(15)20-3/h13-14,19H,5-12H2,1-4H3 |
| InChIKey |
QVOKSBLGNCJSNX-UHFFFAOYSA-N |
| Molecular Weight |
325.511 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)SCCC)OC)CCNCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951593 |
