| SpectraBase Spectrum ID |
JqdoYTfNBL6 |
| Name |
3-(2-Tert-butoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester 5-benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.183837587 u |
| Formula |
C22H27NO6 |
| InChI |
InChI=1S/C22H27NO6/c1-14-16(11-12-17(24)29-22(2,3)4)19(20(25)27-5)23-18(14)21(26)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3 |
| InChIKey |
AUQHOHKXPLIIOX-UHFFFAOYSA-N |
| Molecular Weight |
401.459 g/mol |
| SMILES |
C=1(NC(=C(C1CCC(=O)OC(C)(C)C)C)C(=O)OCC=1C=CC=CC1)C(=O)OC |
