SpectraBase Spectrum ID |
5EXsdUHQ0bA |
Name |
5-Endo-hydroxy-3-exo-methylbicyclo[2.2.1]heptane-2-endo,3-endo-dimethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.125594437 u |
Formula |
C10H18O3 |
InChI |
InChI=1S/C10H18O3/c1-10(5-12)7-2-6(3-9(7)13)8(10)4-11/h6-9,11-13H,2-5H2,1H3 |
InChIKey |
PKXBKKVCCMIYDF-UHFFFAOYSA-N |
Molecular Weight |
186.251 g/mol |
SMILES |
C1(C2CC(C1CO)CC2O)(CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936467 |