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Acetic acid, 3,5-diacetoxy-2-bromo-6-bromomethyltetrahydroyran-4-yl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Acetic acid, 3,5-diacetoxy-2-bromo-6-bromomethyltetrahydroyran-4-yl ester
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CCAqbTYa2gv
Name Acetic acid, 3,5-diacetoxy-2-bromo-6-bromomethyltetrahydroyran-4-yl ester
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980059