| SpectraBase Spectrum ID |
CBQb1DYLrPt |
| Name |
beta-Alanine, N-[(2Z)-2-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)-1-oxo-2-propenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.147786430 u |
| Formula |
C21H22N2O6 |
| InChI |
InChI=1S/C21H22N2O6/c1-28-16-7-3-14(4-8-16)13-18(21(27)22-12-11-19(24)25)23-20(26)15-5-9-17(29-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/b18-13- |
| InChIKey |
CBWONVYUYUBLML-AQTBWJFISA-N |
| Molecular Weight |
398.415 g/mol |
| SMILES |
N(\C(C(=O)NCCC(=O)O)=C/C1=CC=C(C=C1)OC)C(C=1C=CC(=CC1)OC)=O |
![beta-alanine, N-[(2Z)-2-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-](/api/spectrum/CBQb1DYLrPt/structure.png?h=300&w=458 "beta-alanine, N-[(2Z)-2-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-")
