SpectraBase Spectrum ID |
D54wCyQh4EZ |
Name |
2,2-Dimethyl-6-phenoxy-3-hexanol; 3-hexanol, 2,2-dimethyl-6-phenoxy- |
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/c1-14(2,3)13(15)10-7-11-16-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3 |
InChIKey |
LTESCHANASMFFU-UHFFFAOYSA-N |
Molecular Weight |
222.328 g/mol |
SMILES |
OC(C(C)(C)C)CCCOC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Raman) |
0.950649 |