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2,4-BIS-(TRIDEUTERIOMETHYL)-5,7,8-PENTAMETHYL-4H-1,3-BENZODIOXIN-6-OL;CIS-ISOMER
SpectraBase Compound ID Ca8ykktWTLY
InChI InChI=1S/C13H18O3/c1-6-7(2)13-11(8(3)12(6)14)9(4)15-10(5)16-13/h9-10,14H,1-5H3/t9-,10-/m0/s1/i4D3,5D3
InChIKey CEEFMWMCLOFOPY-WQUUXSSCSA-N
Mol Weight 228.32 g/mol
Molecular Formula C13H122H6O3
Exact Mass 228.163255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98Gwuie1NyB
Name 2,4-BIS-(TRIDEUTERIOMETHYL)-5,7,8-PENTAMETHYL-4H-1,3-BENZODIOXIN-6-OL;CIS-ISOMER
Compound Number 1B-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H122H6O3
InChI InChI=1S/C13H18O3/c1-6-7(2)13-11(8(3)12(6)14)9(4)15-10(5)16-13/h9-10,14H,1-5H3/t9-,10-/m0/s1/i4D3,5D3
InChIKey CEEFMWMCLOFOPY-WQUUXSSCSA-N
Literature Reference Author T.ROSENAU,A.POTTHAST,T.ELDER,T.LANGE,H.SIXTA,P.KOSMA
Literature Reference Citation J.ORG.CHEM.,67,3607(2002)
Literature Reference DOI 10.1021/jo016125j
Molecular Weight 228.321 g/mol
Solvent CDCl3
Source File Reference UWSI21750