SpectraBase Spectrum ID |
3c42SiPSxDa |
Name |
1-(4-Methoxyphenyl)-2-methylhex-4-en-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.146329882 u |
Formula |
C14H20O2 |
InChI |
InChI=1S/C14H20O2/c1-4-5-10-14(2,15)11-12-6-8-13(16-3)9-7-12/h4-9,15H,10-11H2,1-3H3/b5-4+ |
InChIKey |
LUWNOIGKDHSDOU-SNAWJCMRSA-N |
Molecular Weight |
220.312 g/mol |
SMILES |
C1(OC)=CC=C(CC(O)(C)C\C=C\C)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976246 |