| SpectraBase Spectrum ID |
BFCBQ7BCO3m |
| Name |
1-Propanamine, N-[2-(2,4,6-trichlorophenoxy)ethyl]- hydrochloride, salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.990774906 u |
| Formula |
C11H15Cl4NO |
| InChI |
InChI=1S/C11H14Cl3NO.ClH/c1-2-3-15-4-5-16-11-9(13)6-8(12)7-10(11)14;/h6-7,15H,2-5H2,1H3;1H |
| InChIKey |
QIAAOZDVLVWSCN-UHFFFAOYSA-N |
| Molecular Weight |
319.059 g/mol |
| SMILES |
[NH2+](CCOC1=C(C=C(C=C1Cl)Cl)Cl)CCC.[Cl-] |
| Spectrum/Structure Validation Score (Raman) |
0.915413 |
![1-Propanamine, N-[2-(2,4,6-trichlorophenoxy)ethyl]- hydrochloride, salt](/api/spectrum/BFCBQ7BCO3m/structure.png?h=300&w=458 "1-Propanamine, N-[2-(2,4,6-trichlorophenoxy)ethyl]- hydrochloride, salt")
