| SpectraBase Spectrum ID |
7eVIhrARUXP |
| Name |
6-beta-N-Butyl-2-alpha-tert.-butyl-2-beta,6-alpha-dimethyl-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 |
242.188194694 u |
| Formula |
C14H26O3 |
| InChI |
InChI=1S/C14H26O3/c1-7-8-9-13(5)10-11(15)16-14(6,17-13)12(2,3)4/h7-10H2,1-6H3/t13-,14-/m1/s1 |
| InChIKey |
HGCKGRSYYFXGRT-ZIAGYGMSSA-N |
| Molecular Weight |
242.359 g/mol |
| SMILES |
[C@]1(OC(C[C@@](O1)(C)CCCC)=O)(C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919343 |
