SpectraBase Spectrum ID |
5XefeIyEbPk |
Name |
3-[3-(1-Piperidinylmethyl)phenoxy]-1-propanamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.188863400 u |
Formula |
C15H24N2O |
InChI |
InChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2 |
InChIKey |
VQSXCZMVUMSITD-UHFFFAOYSA-N |
Molecular Weight |
248.370 g/mol |
SMILES |
C(N1CCCCC1)C1=CC(OCCCN)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920797 |