| SpectraBase Spectrum ID |
BayCU8aDpXS |
| Name |
2,4-Dichlorophenethylamine 2pent |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.126234447 u |
| Formula |
C18H25Cl2NO2 |
| InChI |
InChI=1S/C18H25Cl2NO2/c1-3-5-7-17(22)21(18(23)8-6-4-2)12-11-14-9-10-15(19)13-16(14)20/h9-10,13H,3-8,11-12H2,1-2H3 |
| InChIKey |
VCMQEGRTGXXAHG-UHFFFAOYSA-N |
| Molecular Weight |
358.309 g/mol |
| SMILES |
C(N(C(CCCC)=O)CCC=1C(=CC(=CC1)Cl)Cl)(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946295 |
