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BIS-[2-(3,4-METHYLENEDIOXYPHENYL)-1,2,2-TRIFLUOROETHYL]-ETHER

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BIS-[2-(3,4-METHYLENEDIOXYPHENYL)-1,2,2-TRIFLUOROETHYL]-ETHER
SpectraBase Compound ID 99c3LcvjvAd
InChI InChI=1S/C18H12F6O5/c19-15(17(21,22)9-1-3-11-13(5-9)27-7-25-11)29-16(20)18(23,24)10-2-4-12-14(6-10)28-8-26-12/h1-6,15-16H,7-8H2/t15-,16-/m1/s1
InChIKey SNSWNBXGTRWXDZ-HZPDHXFCSA-N
Mol Weight 422.28 g/mol
Molecular Formula C18H12F6O5
Exact Mass 422.058892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OH4xW6Xh2D
Name BIS-[2-(3,4-METHYLENEDIOXYPHENYL)-1,2,2-TRIFLUOROETHYL]-ETHER
Compound Number 8B-RACEMIC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12F6O5
InChI InChI=1S/C18H12F6O5/c19-15(17(21,22)9-1-3-11-13(5-9)27-7-25-11)29-16(20)18(23,24)10-2-4-12-14(6-10)28-8-26-12/h1-6,15-16H,7-8H2/t15-,16-/m1/s1
InChIKey SNSWNBXGTRWXDZ-HZPDHXFCSA-N
Literature Reference Author R.P.SINGH,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,67,1918(2002)
Literature Reference DOI 10.1021/jo016245r
Molecular Weight 422.281 g/mol
Solvent CDCl3
Source File Reference UWLU25501