SpectraBase Spectrum ID |
H9IlYi2HdPS |
Name |
(E)-3-(2,4,6-Trimethylphenyl)-2-propen-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
176.120115134 u |
Formula |
C12H16O |
InChI |
InChI=1S/C12H16O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-5,7-8,13H,6H2,1-3H3/b5-4+ |
InChIKey |
BVUVTKNRNIVRRY-SNAWJCMRSA-N |
Molecular Weight |
176.259 g/mol |
SMILES |
C=1(C(=CC(=CC1C)C)C)\C=C\CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908144 |