| SpectraBase Spectrum ID |
8cxrDuZpgM6 |
| Name |
N,N-Hexyl-2,6-dichlorophenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.199005467 u |
| Formula |
C20H33Cl2N |
| InChI |
InChI=1S/C20H33Cl2N/c1-3-5-7-9-15-23(16-10-8-6-4-2)17-14-18-19(21)12-11-13-20(18)22/h11-13H,3-10,14-17H2,1-2H3 |
| InChIKey |
MPRQLKKYSHVZAO-UHFFFAOYSA-N |
| Molecular Weight |
358.397 g/mol |
| SMILES |
C1(=C(C=CC=C1Cl)Cl)CCN(CCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887238 |
