SpectraBase Spectrum ID |
CmcWgJ0t9ao |
Name |
3-(3,6-Dimethyl-2-methoxyphenyl)-3-methylbutan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.161979946 u |
Formula |
C14H22O2 |
InChI |
InChI=1S/C14H22O2/c1-10-6-7-11(2)13(16-5)12(10)14(3,4)8-9-15/h6-7,15H,8-9H2,1-5H3 |
InChIKey |
YDFKMOJNUYEZFK-UHFFFAOYSA-N |
Molecular Weight |
222.328 g/mol |
SMILES |
C=1(C(=C(C)C=CC1C)OC)C(CCO)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932008 |