| SpectraBase Spectrum ID |
5LKBREMoZlR |
| Name |
(Z)-1-(2,4,6-Trimethylphenyl)-3-methyl-1-butene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.156500644 u |
| Formula |
C14H20 |
| InChI |
InChI=1S/C14H20/c1-10(2)6-7-14-12(4)8-11(3)9-13(14)5/h6-10H,1-5H3/b7-6- |
| InChIKey |
LHUSXMWEXAAFMQ-SREVYHEPSA-N |
| Molecular Weight |
188.314 g/mol |
| SMILES |
C=1(\C=C/C(C)C)C(=CC(=CC1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849355 |