| SpectraBase Spectrum ID |
AtbOFI53oYz |
| Name |
Methyl (4S*,5R*)-2,2-dimethyl-4-propyl-1,3-dioxane-5-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-5-6-10-9(7-11(13)14-4)8-15-12(2,3)16-10/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1 |
| InChIKey |
UEFVWTLOJUQETL-ZJUUUORDSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C1(O[C@]([C@@](CO1)(CC(=O)OC)[H])(CCC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961535 |
