SpectraBase Spectrum ID |
6LmuKqRhSCo |
Name |
1-[2-(2-Hydroxyethyl)phenyl]-2-methyl-2-propanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
194.130679818 u |
Formula |
C12H18O2 |
InChI |
InChI=1S/C12H18O2/c1-12(2,14)9-11-6-4-3-5-10(11)7-8-13/h3-6,13-14H,7-9H2,1-2H3 |
InChIKey |
JOUGUTPIUAWQIP-UHFFFAOYSA-N |
Molecular Weight |
194.274 g/mol |
SMILES |
C=1(CC(O)(C)C)C(CCO)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811464 |