SpectraBase Spectrum ID |
1NKHhBQ9WFa |
Name |
p-(2-Morpholinoacetamido)benzoic acid, methyl ester, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.103334796 u |
Formula |
C14H19ClN2O4 |
InChI |
InChI=1S/C14H18N2O4.ClH/c1-19-14(18)11-2-4-12(5-3-11)15-13(17)10-16-6-8-20-9-7-16;/h2-5H,6-10H2,1H3,(H,15,17);1H |
InChIKey |
WXTVICVRAJHLKG-UHFFFAOYSA-N |
Molecular Weight |
314.769 g/mol |
SMILES |
Cl.N(C1=CC=C(C=C1)C(OC)=O)C(CN1CCOCC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.777708 |