SpectraBase Spectrum ID |
AiwAEX05Kjp |
Name |
bi-1-Cyclohexen-1-yl, 3,3,3',3',5,5,5',5'-octamethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.266051095 u |
Formula |
C20H34 |
InChI |
InChI=1S/C20H34/c1-17(2)9-15(10-18(3,4)13-17)16-11-19(5,6)14-20(7,8)12-16/h9,11H,10,12-14H2,1-8H3 |
InChIKey |
HDKJVKALAPECQT-UHFFFAOYSA-N |
Molecular Weight |
274.492 g/mol |
SMILES |
CC1(C=C(CC(C1)(C)C)C1=CC(C)(CC(C1)(C)C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962154 |