SpectraBase Spectrum ID |
5uVZAcXYOmD |
Name |
Hexyl(1-phenylpropyl)amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.198699809 u |
Formula |
C15H25N |
InChI |
InChI=1S/C15H25N/c1-3-5-6-10-13-16-15(4-2)14-11-8-7-9-12-14/h7-9,11-12,15-16H,3-6,10,13H2,1-2H3 |
InChIKey |
MHAYYCVVEBWXMT-UHFFFAOYSA-N |
Molecular Weight |
219.372 g/mol |
SMILES |
C(NCCCCCC)(CC)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981631 |