SpectraBase Spectrum ID |
IDTdUOwxAm |
Name |
Ethyl [3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]acetate |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H22N2O2 |
InChI |
InChI=1S/C27H22N2O2/c1-2-31-26(30)19-29-25(22-9-5-3-6-10-22)17-24(21-15-13-20(18-28)14-16-21)27(29)23-11-7-4-8-12-23/h3-17H,2,19H2,1H3 |
InChIKey |
DOSXXWPIKBXJEF-UHFFFAOYSA-N |
Molecular Weight |
406.485 g/mol |
SMILES |
C(C[n]1c(c(cc1-c1ccccc1)-c1ccc(cc1)C#N)-c1ccccc1)(=O)OCC |
SPLASH |
splash10-0a4i-0002900000-afe560fc74b62aaed94e |
Source of Spectrum |
CV-2004-2405-8 |
Wiley ID |
1611575 |