| SpectraBase Spectrum ID |
F7jFK3KsnUy |
| Name |
2-Phenylethylamine, N,N-diheptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.308250260 u |
| Formula |
C22H39N |
| InChI |
InChI=1S/C22H39N/c1-3-5-7-9-14-19-23(20-15-10-8-6-4-2)21-18-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3 |
| InChIKey |
VSKYRJACWVCLGF-UHFFFAOYSA-N |
| Molecular Weight |
317.561 g/mol |
| SMILES |
C1=CC=C(C=C1)CCN(CCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943695 |
