| SpectraBase Spectrum ID |
K4yn0QoZoU6 |
| Name |
Acetyl (2R,3S,6S)-2-acetoxymethyl-6-((4rs)-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)tetrahydropyran-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.167853170 u |
| Formula |
C16H26O7 |
| InChI |
InChI=1S/C16H26O7/c1-10(17)19-9-15-14(21-11(2)18)6-5-12(22-15)7-13-8-20-16(3,4)23-13/h12-15H,5-9H2,1-4H3/t12-,13?,14+,15+/m0/s1 |
| InChIKey |
XFBUKTVNJPPZHI-LJKOUDNXSA-N |
| Molecular Weight |
330.377 g/mol |
| SMILES |
[C@]1(O[C@@](CC[C@]1(OC(=O)C)[H])(CC1OC(C)(C)OC1)[H])(COC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960393 |
![Acetyl (2R,3S,6S)-2-acetoxymethyl-6-((4rs)-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)tetrahydropyran-3-yl ester](/api/spectrum/K4yn0QoZoU6/structure.png?h=300&w=458 "Acetyl (2R,3S,6S)-2-acetoxymethyl-6-((4rs)-2,2-dimethyl[1,3]dioxolan-4-ylmethyl)tetrahydropyran-3-yl ester")
