| SpectraBase Spectrum ID |
CzCzUG43Wbb |
| Name |
(E)-(7-Methyltrideca-5,6,8-trien-5-yl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.219100902 u |
| Formula |
C20H28 |
| InChI |
InChI=1S/C20H28/c1-4-6-8-10-13-18(3)17-20(14-7-5-2)19-15-11-9-12-16-19/h9-13,15-16H,4-8,14H2,1-3H3/b13-10+ |
| InChIKey |
KHBHIEOAONOQEE-JLHYYAGUSA-N |
| Molecular Weight |
268.444 g/mol |
| SMILES |
C(=C=C(C)\C=C\CCCC)(CCCC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912851 |
