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(3A-ALPHA,4-BETA,5-BETA,7A-ALPHA)-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOLE-4,5-DIOL

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(3A-ALPHA,4-BETA,5-BETA,7A-ALPHA)-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOLE-4,5-DIOL
SpectraBase Compound ID H6QO0jTlfmQ
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey VCIXQRISGLSULF-WCTZXXKLSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DhsmbLrye2l
Name [3aS-(3aalpha,4alpha,5alpha,7aalpha)]-3a,4,5,7a-Tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 490385
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey VCIXQRISGLSULF-WCTZXXKLSA-N
Molecular Weight 186.207 g/mol
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_014727