SpectraBase Spectrum ID |
FyPnZVVgPWL |
Name |
1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methyl-2-propanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
196.182715392 u |
Formula |
C13H24O |
InChI |
InChI=1S/C13H24O/c1-12(2,14)8-11-9-5-6-10(7-9)13(11,3)4/h9-11,14H,5-8H2,1-4H3/t9-,10-,11+/m0/s1 |
InChIKey |
OTZFXUASISFDME-GARJFASQSA-N |
Molecular Weight |
196.334 g/mol |
SMILES |
C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(CC(O)(C)C)[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903054 |