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METHYL-3-(N-4-METHOXYPHENYL-N-BENZOYL)-AMINO-4,4,4-TRIFLUORO-2-BENZOYLTHIO-2-BUTENOATE
SpectraBase Compound ID GbP7U3uNkH5
InChI InChI=1S/C26H20F3NO5S/c1-34-20-15-13-19(14-16-20)30(23(31)17-9-5-3-6-10-17)22(26(27,28)29)21(24(32)35-2)36-25(33)18-11-7-4-8-12-18/h3-16H,1-2H3/b22-21+
InChIKey BTCXKPUVRAAHRU-QURGRASLSA-N
Mol Weight 515.5 g/mol
Molecular Formula C26H20F3NO5S
Exact Mass 515.101428 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDru4nMU7yt
Name METHYL-3-(N-4-METHOXYPHENYL-N-BENZOYL)-AMINO-4,4,4-TRIFLUORO-2-BENZOYLTHIO-2-BUTENOATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H20F3NO5S
InChI InChI=1S/C26H20F3NO5S/c1-34-20-15-13-19(14-16-20)30(23(31)17-9-5-3-6-10-17)22(26(27,28)29)21(24(32)35-2)36-25(33)18-11-7-4-8-12-18/h3-16H,1-2H3/b22-21+
InChIKey BTCXKPUVRAAHRU-QURGRASLSA-N
Literature Reference Author K.UNEYAMA,H.OHKURA,J.HAO,H.AMII
Literature Reference Citation J.ORG.CHEM.,66,1026(2001)
Literature Reference DOI 10.1021/jo0010330
Solvent CDCl3
Source File Reference UWVN26287