| SpectraBase Spectrum ID |
ACXueasBGUL |
| Name |
(1R,7R,9S)-9-Ethoxy-3,8-dioxabicyclo[5.3.0]decan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-2-12-10-5-7-6-13-9(11)4-3-8(7)14-10/h7-8,10H,2-6H2,1H3/t7-,8-,10+/m1/s1 |
| InChIKey |
HOTVEPWTYXMOGA-MRTMQBJTSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
[C@]12(O[C@@](C[C@@]2(COC(CC1)=O)[H])(OCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990666 |
![(1R,7R,9S)-9-Ethoxy-3,8-dioxabicyclo[5.3.0]decan-4-one](/api/spectrum/ACXueasBGUL/structure.png?h=300&w=458 "(1R,7R,9S)-9-Ethoxy-3,8-dioxabicyclo[5.3.0]decan-4-one")
