| SpectraBase Spectrum ID |
2iLiStdcsCa |
| Name |
4-(2-Pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N2 |
| InChI |
InChI=1S/C22H22N2/c1-2-3-5-10-21-20(18-13-11-17(16-23)12-14-18)15-22(24-21)19-8-6-4-7-9-19/h4,6-9,11-15,24H,2-3,5,10H2,1H3 |
| InChIKey |
KLXPJAWCMANEJP-UHFFFAOYSA-N |
| Molecular Weight |
314.432 g/mol |
| SMILES |
[nH]1c(cc(c1CCCCC)-c1ccc(C#N)cc1)-c1ccccc1 |
| SPLASH |
splash10-0a4i-0093000000-e824b5133947b7473335 |
| Source of Spectrum |
CV-2004-2403-8 |
| Wiley ID |
1611579 |
