| SpectraBase Spectrum ID |
9NSBk734UmF |
| Name |
p-Ethoxythiobenzoic acid, S-[2-(diethylamino)ethyl] ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.121627889 u |
| Formula |
C15H24ClNO2S |
| InChI |
InChI=1S/C15H23NO2S.ClH/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3;/h7-10H,4-6,11-12H2,1-3H3;1H |
| InChIKey |
KTDNTPLWAWYKRI-UHFFFAOYSA-N |
| SMILES |
Cl.C(=O)(SCCN(CC)CC)C=1C=CC(=CC1)OCC |
| Spectrum/Structure Validation Score (Raman) |
0.908107 |
![p-Ethoxythiobenzoic acid, S-[2-(diethylamino)ethyl] ester, hydrochloride](/api/spectrum/9NSBk734UmF/structure.png?h=300&w=458 "p-Ethoxythiobenzoic acid, S-[2-(diethylamino)ethyl] ester, hydrochloride")
