| SpectraBase Spectrum ID |
gLAyStSCd5 |
| Name |
(2R,4S,6R)-2-Tert-butyl-5-hydroxymethyl-6-methyl-4-(2'-phenyl-ethyl)1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-13-15(12-19)16(21-17(20-13)18(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,13,15-17,19H,10-12H2,1-4H3/t13-,15?,16+,17-/m1/s1 |
| InChIKey |
DAJLTTYTOPQJGA-NHFRXMKASA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
[C@]1(O[C@@](CCC2=CC=CC=C2)(C([C@](O1)(C)[H])CO)[H])(C(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931886 |
