| SpectraBase Spectrum ID |
KXw45EShl39 |
| Name |
(-)-(1R,2R)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane-2-ethyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-4-15-11(14)7-13-9-5-8(12(9,2)3)6-10(13)16-13/h8-10H,4-7H2,1-3H3/t8-,9+,10+,13+/m0/s1 |
| InChIKey |
GHWGDCNFAYEIGE-DCJFZGGZSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
[C@]12(O[C@@]2(C[C@@]2(C[C@@]1(C2(C)C)[H])[H])[H])CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980067 |
![(-)-(1R,2R)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane-2-ethyl acetate](/api/spectrum/KXw45EShl39/structure.png?h=300&w=458 "(-)-(1R,2R)-2,3-epoxy-6,6-dimethylbicyclo[3.1.1]heptane-2-ethyl acetate")
