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[3aS-(3aalpha,4alpha,5alpha,7aalpha)]-7-Bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol
SpectraBase Compound ID 3biEH2xPGlr
InChI InChI=1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKey UGCLVZMHFRQWFL-XUTVFYLZSA-N
Mol Weight 265.1 g/mol
Molecular Formula C9H13BrO4
Exact Mass 263.999722 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYW49REjmQx
Name [3aS-(3aalpha,4alpha,5alpha,7aalpha)]-7-Bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 490350
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13BrO4
InChI InChI=1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKey UGCLVZMHFRQWFL-XUTVFYLZSA-N
Molecular Weight 265.103 g/mol
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014832