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(3A-ALPHA,5A-BETA,6A-BETA,6B-ALPHA)-2,2-DIMETHYL-3A,5A,6A,6B-TETRAHYDRO-OXIRENO[EQU]-1,3-BENZODIOXOLE
SpectraBase Compound ID BoUNNewQ3pk
InChI InChI=1S/C9H12O3/c1-9(2)11-6-4-3-5-7(10-5)8(6)12-9/h3-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey GAUDXMCZQNKKEF-WCTZXXKLSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AsoWcgIRbNi
Name [3aR-(3aalpha,5abeta,6abeta,6balpha)]-3a,5a,6a,6b-Tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 490881
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(2)11-6-4-3-5-7(10-5)8(6)12-9/h3-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey GAUDXMCZQNKKEF-WCTZXXKLSA-N
Molecular Weight 168.192 g/mol
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014837