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3-AMINO-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOIC-ACID-HYDROCHLORIDE
SpectraBase Compound ID BWIe0JCP1MK
InChI InChI=1S/C8H14F3NO2S.ClH/c1-7(2,3)15-4(6(13)14)5(12)8(9,10)11;/h4-5H,12H2,1-3H3,(H,13,14);1H/t4-,5-;/m1./s1
InChIKey WZMNQBMQUIPCQU-TYSVMGFPSA-N
Mol Weight 281.72 g/mol
Molecular Formula C8H15ClF3NO2S
Exact Mass 281.046412 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dVRse04pAJ
Name 3-AMINO-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOIC-ACID-HYDROCHLORIDE
Compound Number 14A-ANTI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H15ClF3NO2S
InChI InChI=1S/C8H14F3NO2S.ClH/c1-7(2,3)15-4(6(13)14)5(12)8(9,10)11;/h4-5H,12H2,1-3H3,(H,13,14);1H/t4-,5-;/m1./s1
InChIKey WZMNQBMQUIPCQU-TYSVMGFPSA-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 DMSO-D6
Source File Reference UWMS24042