| SpectraBase Spectrum ID |
JoEQiA8QZo7 |
| Name |
(1S,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| 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(2)6-4-5-10(9,3)8(12)7(6)11/h6,8,12H,4-5H2,1-3H3/t6-,8-,10+/m1/s1 |
| InChIKey |
HJVHHNRJPMNKAK-YNEQXMIYSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
[C@]12(C([C@]([H])(CC2)C([C@]1(O)[H])=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908184 |
![(1S,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one](/api/spectrum/JoEQiA8QZo7/structure.png?h=300&w=458 "(1S,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one")
