| SpectraBase Spectrum ID |
FJ3ZSTKBPuC |
| Name |
(1S,2S,3R)-2-(T-Butyl)-5-(1'-hydroxycyclohexyl)-6-methyl-1,3-dioxan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-10-11(15(17)8-6-5-7-9-15)12(16)19-13(18-10)14(2,3)4/h10-11,13,17H,5-9H2,1-4H3/t10-,11-,13+/m1/s1 |
| InChIKey |
ZUKXLGBUAGRWAK-WZRBSPASSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C1(O[C@@](C(C)(C)C)(O[C@@]([C@]1(C1(O)CCCCC1)[H])(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97362 |
