| SpectraBase Spectrum ID |
4buY2zSgho5 |
| Name |
p-(3-Morpholinopropionamido)benzoic acid, isobutyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.165935053 u |
| Formula |
C18H27ClN2O4 |
| InChI |
InChI=1S/C18H26N2O4.ClH/c1-14(2)13-24-18(22)15-3-5-16(6-4-15)19-17(21)7-8-20-9-11-23-12-10-20;/h3-6,14H,7-13H2,1-2H3,(H,19,21);1H |
| InChIKey |
OWMQCIHLASDAAJ-UHFFFAOYSA-N |
| Molecular Weight |
370.877 g/mol |
| SMILES |
Cl.N(C=1C=CC(=CC1)C(OCC(C)C)=O)C(CCN1CCOCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.918663 |
