| SpectraBase Compound ID | HCYm0f5LNap |
|---|---|
| InChI | InChI=1S/C12H16Br2O7/c1-5(15)18-9-8(4-13)21-12(14)11(20-7(3)17)10(9)19-6(2)16/h8-12H,4H2,1-3H3/t8-,9+,10-,11-,12+/m1/s1 |
| InChIKey | GANZZSBPRYXKPX-UHFFFAOYSA-N |
| Mol Weight | 432.06 g/mol |
| Molecular Formula | C12H16Br2O7 |
| Exact Mass | 429.926279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTb36NGYPVA |
|---|---|
| Name | Acetic acid, 3,5-diacetoxy-2-bromo-6-bromomethyltetrahydroyran-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.926278848 u |
| Formula | C12H16Br2O7 |
| InChI | InChI=1S/C12H16Br2O7/c1-5(15)18-9-8(4-13)21-12(14)11(20-7(3)17)10(9)19-6(2)16/h8-12H,4H2,1-3H3 |
| InChIKey | GANZZSBPRYXKPX-UHFFFAOYSA-N |
| Molecular Weight | 432.061 g/mol |
| SMILES | C1(C(OC(C(C1OC(C)=O)OC(C)=O)Br)CBr)OC(C)=O |