| SpectraBase Spectrum ID |
485arZp3sAn |
| Name |
2-Oxabicyclo[2.2.2]octane-3-methanol, 5-(acetyloxy)-1,3-dimethyl-, acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.146723803 u |
| Formula |
C14H22O5 |
| InChI |
InChI=1S/C14H22O5/c1-9(15)17-8-14(4)11-5-6-13(3,19-14)7-12(11)18-10(2)16/h11-12H,5-8H2,1-4H3/t11-,12+,13+,14+/m1/s1 |
| InChIKey |
MVVYBVSKCLCSPS-RFGFWPKPSA-N |
| SMILES |
[C@]1([C@]2([C@@](OC(=O)C)(C[C@@](O1)(CC2)C)[H])[H])(COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840619 |
![2-Oxabicyclo[2.2.2]octane-3-methanol, 5-(acetyloxy)-1,3-dimethyl-, acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-](/api/spectrum/485arZp3sAn/structure.png?h=300&w=458 "2-Oxabicyclo[2.2.2]octane-3-methanol, 5-(acetyloxy)-1,3-dimethyl-, acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-")
