| SpectraBase Spectrum ID |
3Cto9WRYxDi |
| Name |
(2R,4S,6R)-2-Tert-butyl-4-ethyl-5-hydroxymethyl-6-methyl-1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.172544630 u |
| Formula |
C12H24O3 |
| InChI |
InChI=1S/C12H24O3/c1-6-10-9(7-13)8(2)14-11(15-10)12(3,4)5/h8-11,13H,6-7H2,1-5H3/t8-,9?,10+,11-/m1/s1 |
| InChIKey |
LRTQOFOYVNTGPA-TVTJGUELSA-N |
| Molecular Weight |
216.321 g/mol |
| SMILES |
[C@@]1(O[C@](C)(C([C@@](O1)(CC)[H])CO)[H])(C(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872844 |
