| SpectraBase Spectrum ID |
ExTpCUKeLbW |
| Name |
1H-Pyrrole-3,4-dicarboxylic acid, 2-(4-cyanophenyl)-5-phenyl-, dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.111006999 u |
| Formula |
C21H16N2O4 |
| InChI |
InChI=1S/C21H16N2O4/c1-26-20(24)16-17(21(25)27-2)19(15-10-8-13(12-22)9-11-15)23-18(16)14-6-4-3-5-7-14/h3-11,23H,1-2H3 |
| InChIKey |
UTPHGCQEMSGMFS-UHFFFAOYSA-N |
| Molecular Weight |
360.369 g/mol |
| SMILES |
C=1(C(=C(C=2C=CC=CC2)NC1C=1C=CC(C#N)=CC1)C(=O)OC)C(=O)OC |
