| SpectraBase Spectrum ID |
BiZ0r5ISoPZ |
| Name |
Methyl {(3as,7R,7as)-2,2-dimethyl-6-oxo-3A,6,7,7A-tetrahydro-4H-1,3-dioxolo[4,5-C]pyran-7-yl}acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.094688229 u |
| Formula |
C11H16O6 |
| InChI |
InChI=1S/C11H16O6/c1-11(2)16-7-5-15-10(13)6(9(7)17-11)4-8(12)14-3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9+/m1/s1 |
| InChIKey |
PGNUTKIVYQXUKJ-FJXKBIBVSA-N |
| Molecular Weight |
244.243 g/mol |
| SMILES |
[C@@]1([C@]2([C@@](OC(O2)(C)C)(COC1=O)[H])[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819215 |
![Methyl {(3aS,7R,7aS)-2,2-dimethyl-6-oxo-3a,6,7,7a-tetrahydro-4H-1,3-dioxolo[4,5-c]pyran-7-yl}acetate](/api/spectrum/BiZ0r5ISoPZ/structure.png?h=300&w=458 "Methyl {(3aS,7R,7aS)-2,2-dimethyl-6-oxo-3a,6,7,7a-tetrahydro-4H-1,3-dioxolo[4,5-c]pyran-7-yl}acetate")
