SpectraBase Spectrum ID |
HhGSErQAmFu |
Name |
(+-)-1-(2-naphthalenylmethylene)-4-[4'-(phenylethynyl)phenyl]cyclohexane |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.203450837 u |
Formula |
C31H26 |
InChI |
InChI=1S/C31H26/c1-2-6-24(7-3-1)10-11-25-12-17-29(18-13-25)30-19-14-26(15-20-30)22-27-16-21-28-8-4-5-9-31(28)23-27/h1-9,12-13,16-18,21-23,30H,14-15,19-20H2/b26-22- |
InChIKey |
MSZXUVYBHPVAOG-ROMGYVFFSA-N |
Molecular Weight |
398.549 g/mol |
SMILES |
C(#CC1=CC=CC=C1)C1=CC=C(C=C1)C1CCC(=CC=2C=C3C=CC=CC3=CC2)CC1 |