| SpectraBase Spectrum ID |
5CkQoidSXPz |
| Name |
p-(3-Morpholinopropionamido)benzoic acid, ethyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.134634925 u |
| Formula |
C16H23ClN2O4 |
| InChI |
InChI=1S/C16H22N2O4.ClH/c1-2-22-16(20)13-3-5-14(6-4-13)17-15(19)7-8-18-9-11-21-12-10-18;/h3-6H,2,7-12H2,1H3,(H,17,19);1H |
| InChIKey |
WUSDCFNIAAGKDV-UHFFFAOYSA-N |
| SMILES |
Cl.N(C=1C=CC(=CC1)C(OCC)=O)C(=O)CCN1CCOCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.80124 |
