| SpectraBase Spectrum ID |
BAAKiWrUnF7 |
| Name |
Cyclooctene, 1,2-bis(methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.203450837 u |
| Formula |
C22H26 |
| InChI |
InChI=1S/C22H26/c1-17-11-7-9-13-19(17)21-15-5-3-4-6-16-22(21)20-14-10-8-12-18(20)2/h7-14H,3-6,15-16H2,1-2H3/b22-21- |
| InChIKey |
ACSSEPCVNFSLJB-DQRAZIAOSA-N |
| SMILES |
C=1(\C2=C\(CCCCCC2)C=2C(C)=CC=CC2)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978002 |
