SpectraBase Spectrum ID |
J680B13cSJr |
Name |
Heptanamide, N-[3-(hexylamino)propyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
270.267113722 u |
Formula |
C16H34N2O |
InChI |
InChI=1S/C16H34N2O/c1-3-5-7-9-12-16(19)18-15-11-14-17-13-10-8-6-4-2/h17H,3-15H2,1-2H3,(H,18,19) |
InChIKey |
WYDQOXJNJWZBQW-UHFFFAOYSA-N |
Molecular Weight |
270.461 g/mol |
SMILES |
C(NCCCNCCCCCC)(CCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91284 |