| SpectraBase Spectrum ID |
65bSQmX2XWx |
| Name |
(-)-(1R,2R,3S)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-9(2)5-3-6(9)8-7(4-5)10-8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8+/m0/s1 |
| InChIKey |
JOKAISCMWFTWMA-FKSUSPILSA-N |
| Molecular Weight |
138.210 g/mol |
| SMILES |
[C@]12(O[C@]2(C[C@@]2(C[C@]1(C2(C)C)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953593 |
![(-)-(1R,2R,3S)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane](/api/spectrum/65bSQmX2XWx/structure.png?h=300&w=458 "(-)-(1R,2R,3S)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane")
