| SpectraBase Spectrum ID |
7fM098gM1ke |
| Name |
2,3-Dichlorophenethylamine 2hex |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.157534576 u |
| Formula |
C20H29Cl2NO2 |
| InChI |
InChI=1S/C20H29Cl2NO2/c1-3-5-7-12-18(24)23(19(25)13-8-6-4-2)15-14-16-10-9-11-17(21)20(16)22/h9-11H,3-8,12-15H2,1-2H3 |
| InChIKey |
UQXHTSNLYHJNQK-UHFFFAOYSA-N |
| Molecular Weight |
386.363 g/mol |
| SMILES |
C=1(C(=C(C=CC1)Cl)Cl)CCN(C(CCCCC)=O)C(CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950101 |
