| SpectraBase Spectrum ID |
CBNSeHGaU6y |
| Name |
(1'R,2R,5S,6R)-2-Tert-butyl)-5-(1'-hydroxypentyl)-6-methyl-1,3-dioxan-4-on |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-6-7-8-10(15)11-9(2)17-13(14(3,4)5)18-12(11)16/h9-11,13,15H,6-8H2,1-5H3/t9-,10-,11-,13-/m1/s1 |
| InChIKey |
WPWCADQPMNREED-PRULPYPASA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C1(O[C@](C(C)(C)C)(O[C@@]([C@@]1([C@](O)(CCCC)[H])[H])(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985703 |
