| SpectraBase Spectrum ID |
jLJDJhnMFC |
| Name |
1-Benzyl-4-(3-ethoxy-3-oxopropyl)-5-(4-hydroxy-3,3-diphenylbutyl)-1H-pyrrole-2-carboxylic acid |
| Appearance |
Pale yellow foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H35NO5 |
| InChI |
InChI=1S/C33H35NO5/c1-2-39-31(36)19-18-26-22-30(32(37)38)34(23-25-12-6-3-7-13-25)29(26)20-21-33(24-35,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,22,35H,2,18-21,23-24H2,1H3,(H,37,38) |
| InChIKey |
XZSMUCSNTKZQFG-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
525.645 g/mol |
| SMILES |
OCC(CCc1c(cc(C(O)=O)[n]1Cc1ccccc1)CCC(OCC)=O)(c1ccccc1)c1ccccc1 |
| SPLASH |
splash10-00l6-9600500000-30dc0e5f845af56d7a12 |
| Source of Spectrum |
US2012114696A1 |
| Wiley ID |
1845112 |
