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TERT.-BUTYL-3-[N-(4-METHOXYPHENYL)-AMINO]-2-[S-[(2-NITROPHENYL)-SULFENYL]-THIO]-4,4,4-TRIFLUOROBUTANOATE
SpectraBase Compound ID HZWcv5rXJez
InChI InChI=1S/C21H23F3N2O5S2/c1-20(2,3)31-19(27)17(33-32-16-8-6-5-7-15(16)26(28)29)18(21(22,23)24)25-13-9-11-14(30-4)12-10-13/h5-12,17-18,25H,1-4H3/t17-,18+/m1/s1
InChIKey GHBWHCKRQBMHRO-MSOLQXFVSA-N
Mol Weight 504.54 g/mol
Molecular Formula C21H23F3N2O5S2
Exact Mass 504.100049 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lUUmt2BqYt
Name TERT.-BUTYL-3-[N-(4-METHOXYPHENYL)-AMINO]-2-[S-[(2-NITROPHENYL)-SULFENYL]-THIO]-4,4,4-TRIFLUOROBUTANOATE
Compound Number 15A-SYN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23F3N2O5S2
InChI InChI=1S/C21H23F3N2O5S2/c1-20(2,3)31-19(27)17(33-32-16-8-6-5-7-15(16)26(28)29)18(21(22,23)24)25-13-9-11-14(30-4)12-10-13/h5-12,17-18,25H,1-4H3/t17-,18+/m1/s1
InChIKey GHBWHCKRQBMHRO-MSOLQXFVSA-N
Literature Reference Author H.OHKURA,M.HANDA,T.KATAGIRI,K.UNEYAMA
Literature Reference Citation J.ORG.CHEM.,67,2692(2002)
Literature Reference DOI 10.1021/jo016108u
Solvent CDCl3
Source File Reference UWMS24043