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TERT.-BUTYL-3-[N-(4-CHLOROPHENYL)-AMINO]-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOATE
SpectraBase Compound ID Fp8JBBVUiSr
InChI InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3/t13-,14-/m0/s1
InChIKey OJTRUQUHMBUBFX-KBPBESRZSA-N
Mol Weight 411.91 g/mol
Molecular Formula C18H25ClF3NO2S
Exact Mass 411.124662 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2XWQTn2hcK
Name TERT.-BUTYL-3-[N-(4-CHLOROPHENYL)-AMINO]-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOATE
Compound Number 11B-ANTI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25ClF3NO2S
InChI InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3/t13-,14-/m0/s1
InChIKey OJTRUQUHMBUBFX-KBPBESRZSA-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 UWMS24037