| SpectraBase Compound ID | 20tHhM0XjIA |
|---|---|
| InChI | InChI=1S/C19H37BrO2/c1-4-5-6-10-13-19(14-11-8-7-9-12-15-20)21-16-18(2,3)17-22-19/h4-17H2,1-3H3 |
| InChIKey | OJYNSNDWTOKOFJ-UHFFFAOYSA-N |
| Mol Weight | 377.4 g/mol |
| Molecular Formula | C19H37BrO2 |
| Exact Mass | 376.197693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4fO8rZ2FC |
|---|---|
| Name | 1,3-Dioxane, 2-(7-bromoheptyl)-2-hexyl-5,5-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.197693429 u |
| Formula | C19H37BrO2 |
| InChI | InChI=1S/C19H37BrO2/c1-4-5-6-10-13-19(14-11-8-7-9-12-15-20)21-16-18(2,3)17-22-19/h4-17H2,1-3H3 |
| InChIKey | OJYNSNDWTOKOFJ-UHFFFAOYSA-N |
| Molecular Weight | 377.407 g/mol |
| SMILES | C1(OCC(CO1)(C)C)(CCCCCCCBr)CCCCCC |