SpectraBase Spectrum ID |
O9mX1PzGTJ |
Name |
2-(2'-Tert-butyl-5'-methyltetrahydrofuran-2'-yl)propan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
200.177630011 u |
Formula |
C12H24O2 |
InChI |
InChI=1S/C12H24O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h9,13H,7-8H2,1-6H3 |
InChIKey |
OGGJCDQWBHPWEM-UHFFFAOYSA-N |
Molecular Weight |
200.322 g/mol |
SMILES |
C1(OC(C)CC1)(C(O)(C)C)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921675 |