| SpectraBase Spectrum ID |
HxhrFfNKqDo |
| Name |
2-Tert-butyl-6-methyl-5-(1-phenylbutyl)[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 |
308.235144887 u |
| Formula |
C19H32O3 |
| InChI |
InChI=1S/C10H14.C9H18O3/c1-2-3-7-10-8-5-4-6-9-10;1-6-5-7(10)12-8(11-6)9(2,3)4/h4-6,8-9H,2-3,7H2,1H3;6-8,10H,5H2,1-4H3 |
| InChIKey |
COXCCHMQHKPHGM-UHFFFAOYSA-N |
| Molecular Weight |
308.462 g/mol |
| Nominal Mass |
308 u |
| SMILES |
C(CCC)c1ccccc1.OC1CC(OC(O1)C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961173 |
![2-Tert-butyl-6-methyl-5-(1-phenylbutyl)[1,3]dioxan-4-one](/api/spectrum/HxhrFfNKqDo/structure.png?h=300&w=458 "2-Tert-butyl-6-methyl-5-(1-phenylbutyl)[1,3]dioxan-4-one")
