| SpectraBase Spectrum ID |
ABgWYc78oT6 |
| Name |
Methyl [(2R,3S,5R,6R)-5.6-dimethyl-3-phenyl-1,4-dioxan-2-yl]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-10-11(2)19-15(12-7-5-4-6-8-12)13(18-10)9-14(16)17-3/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11-,13-,15+/m1/s1 |
| InChIKey |
ZRTDPJIMNMFOCD-CVMIBZJCSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
[C@@]1(O[C@@]([C@](O[C@@]1(CC(=O)OC)[H])(C)[H])(C)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961845 |
![Methyl[(2R,3S,5R,6R)-5,6-dimethyl-3-phenyl-1,4-dioxan-2-yl]acetate](/api/spectrum/ABgWYc78oT6/structure.png?h=300&w=458 "Methyl[(2R,3S,5R,6R)-5,6-dimethyl-3-phenyl-1,4-dioxan-2-yl]acetate")
