SpectraBase Spectrum ID |
3nCtp7C8rc0 |
Name |
N-Pent-3-yl -3-methoxy-4,5-methylenedioxyphenethylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
265.167793602 u |
Formula |
C15H23NO3 |
InChI |
InChI=1S/C15H23NO3/c1-4-12(5-2)16-7-6-11-8-13(17-3)15-14(9-11)18-10-19-15/h8-9,12,16H,4-7,10H2,1-3H3 |
InChIKey |
FBTQYNHNCUXYGK-UHFFFAOYSA-N |
Molecular Weight |
265.353 g/mol |
SMILES |
C1=2C(=CC(=CC2OC)CCNC(CC)CC)OCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955144 |