| SpectraBase Spectrum ID |
1wmeMLRSs |
| Name |
(1R*,2R*,5S*)-2-(Ethoxycarbonyl)-2-isopropyl-5-propyl-8-oxabicyclo[3.2.1]octane-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.183109313 u |
| Formula |
C16H26O4 |
| InChI |
InChI=1S/C16H26O4/c1-5-8-15-9-7-13(20-15)16(11(3)4,12(17)10-15)14(18)19-6-2/h11,13H,5-10H2,1-4H3/t13-,15+,16+/m1/s1 |
| InChIKey |
NRTISDBQAVUYDO-KBMXLJTQSA-N |
| SMILES |
[C@]1(C(C[C@]2(O[C@@]1(CC2)[H])CCC)=O)(C(=O)OCC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827971 |
![(1R*,2R*,5S*)-2-(Ethoxycarbonyl)-2-isopropyl-5-propyl-8-oxabicyclo[3.2.1]octane-3-one](/api/spectrum/1wmeMLRSs/structure.png?h=300&w=458 "(1R*,2R*,5S*)-2-(Ethoxycarbonyl)-2-isopropyl-5-propyl-8-oxabicyclo[3.2.1]octane-3-one")
