| SpectraBase Spectrum ID |
3sco4ljUqxc |
| Name |
(2R,4R,6R)-2,4-Dibutyl-6-phenyl-1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-3-5-12-16-14-17(15-10-8-7-9-11-15)20-18(19-16)13-6-4-2/h7-11,16-18H,3-6,12-14H2,1-2H3/t16-,17-,18-/m1/s1 |
| InChIKey |
SLDCWVAKPQLEGS-KZNAEPCWSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
[C@@]1(O[C@@](O[C@@](C1)(CCCC)[H])(CCCC)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964613 |
