SpectraBase Spectrum ID |
8GPAoFxRJRM |
Name |
Benzene, 1,1'-cyclohexylidenebis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.156500644 u |
Formula |
C18H20 |
InChI |
InChI=1S/C18H20/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2 |
InChIKey |
WLHJCCUFRCTNRZ-UHFFFAOYSA-N |
Molecular Weight |
236.358 g/mol |
SMILES |
C1(CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842448 |