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DICENTRINE-TRIFLUOROACETIC-ACID

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DICENTRINE-TRIFLUOROACETIC-ACID
SpectraBase Compound ID FAJXi4EdacD
InChI InChI=1S/C20H21NO4.C2HF3O2/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19;3-2(4,5)1(6)7/h7-9,14H,4-6,10H2,1-3H3;(H,6,7)/t14-;/m0./s1
InChIKey YKBDJUOOOZIILW-UQKRIMTDSA-N
Mol Weight 453.41 g/mol
Molecular Formula C22H22F3NO6
Exact Mass 453.139922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8TsRMbCBBE
Name DICENTRINE-TRIFLUOROACETIC-ACID
Compound Number 1.TFA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22F3NO6
InChI InChI=1S/C20H21NO4.C2HF3O2/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19;3-2(4,5)1(6)7/h7-9,14H,4-6,10H2,1-3H3;(H,6,7)/t14-;/m0./s1
InChIKey YKBDJUOOOZIILW-UQKRIMTDSA-N
Literature Reference Author Y.C.LAI,T.F.KUO,C.K.CHEN,H.J.TSAI,S.S.LEE
Literature Reference Citation DRUG.MET.DISP.,38,1714(2010)
Literature Reference DOI 10.1124/dmd.110.033795
Molecular Weight 453.415 g/mol
Source File Reference UWLU74018