| SpectraBase Spectrum ID |
K1jbn0nUef3 |
| Name |
5-Acetoxymethyl-3,4-bis-ethoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid, benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.173666825 u |
| Formula |
C23H27NO8 |
| InChI |
InChI=1S/C23H27NO8/c1-4-29-20(26)11-17-18(12-21(27)30-5-2)22(24-19(17)14-31-15(3)25)23(28)32-13-16-9-7-6-8-10-16/h6-10,24H,4-5,11-14H2,1-3H3 |
| InChIKey |
OGXJSPWMWNLQOL-UHFFFAOYSA-N |
| Molecular Weight |
445.468 g/mol |
| SMILES |
C(=O)(OCC1=CC=CC=C1)C=1NC(COC(=O)C)=C(C1CC(=O)OCC)CC(=O)OCC |
