SpectraBase Spectrum ID |
5XFcmCYQWO6 |
Name |
1.beta.-Formyl-4.beta.-hydroxy-5.beta.-methylbicyclo[3.3.0]octane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
168.115029753 u |
Formula |
C10H16O2 |
InChI |
InChI=1S/C10H16O2/c1-9-4-2-5-10(9,7-11)6-3-8(9)12/h7-8,12H,2-6H2,1H3/t8-,9+,10-/m1/s1 |
InChIKey |
VAYZSZNDTRTELZ-KXUCPTDWSA-N |
Molecular Weight |
168.236 g/mol |
SMILES |
[C@@]12([C@](CC[C@]2(O)[H])(C=O)CCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824859 |