| SpectraBase Spectrum ID |
HQogjrN63pp |
| Name |
N-{2-[(p-Chlorophenyl)sulfonyl]ethyl}-1-methylpropylamine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.051355428 u |
| Formula |
C12H19Cl2NO2S |
| InChI |
InChI=1S/C12H18ClNO2S.ClH/c1-3-10(2)14-8-9-17(15,16)12-6-4-11(13)5-7-12;/h4-7,10,14H,3,8-9H2,1-2H3;1H |
| InChIKey |
XYTLJCXHCJMWAL-UHFFFAOYSA-N |
| Molecular Weight |
312.255 g/mol |
| SMILES |
Cl.N(CCS(C1=CC=C(C=C1)Cl)(=O)=O)C(CC)C |
| Spectrum/Structure Validation Score (Raman) |
0.907016 |
![N-{2-[(p-chlorophenyl)sulfonyl]ethyl}-1-methylpropylamine, hydrochloride](/api/spectrum/HQogjrN63pp/structure.png?h=300&w=458 "N-{2-[(p-chlorophenyl)sulfonyl]ethyl}-1-methylpropylamine, hydrochloride")
