| SpectraBase Spectrum ID |
589dS9OjgKx |
| Name |
(2R,4R,6R)-2,4-Diheptyl-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 |
360.302830526 u |
| Formula |
C24H40O2 |
| InChI |
InChI=1S/C24H40O2/c1-3-5-7-9-14-18-22-20-23(21-16-12-11-13-17-21)26-24(25-22)19-15-10-8-6-4-2/h11-13,16-17,22-24H,3-10,14-15,18-20H2,1-2H3/t22-,23-,24-/m1/s1 |
| InChIKey |
OOWCTDQQNCJHGQ-WXFUMESZSA-N |
| Molecular Weight |
360.582 g/mol |
| SMILES |
[C@@]1(O[C@@](O[C@@](C1)(CCCCCCC)[H])(CCCCCCC)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926385 |
