| SpectraBase Spectrum ID |
3Gr76hk7YEM |
| Name |
4-[2'-(Pyren-1''-yl)ethyl)benzonitrile |
| Alternate Name(s) |
4-[2-(1-Pyrenyl)ethyl]benzonitrile
4-(2-pyren-1-ylethyl)benzenecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H17N |
| InChI |
InChI=1S/C25H17N/c26-16-18-6-4-17(5-7-18)8-9-19-10-11-22-13-12-20-2-1-3-21-14-15-23(19)25(22)24(20)21/h1-7,10-15H,8-9H2 |
| InChIKey |
LDWBOERPKIXMHW-UHFFFAOYSA-N |
| Molecular Weight |
331.418 g/mol |
| SMILES |
c12c3ccc4c2c(ccc4)ccc1ccc3CCc1ccc(C#N)cc1 |
| SPLASH |
splash10-014i-0091000000-71352d221cdf86371c6c |
| Source of Spectrum |
K1-2001-3827-17 |
| Wiley ID |
813466 |
