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(3S,3'R)-4-FLUORO-3-HYDROXY-3-[[(4-METHYLPHENYL)-THIO]-[PHENYL]-METHYL]-BUTANENITRILE
SpectraBase Compound ID AjQGhRLkVuW
InChI InChI=1S/C18H18FNOS/c1-14-7-9-16(10-8-14)22-17(15-5-3-2-4-6-15)18(21,13-19)11-12-20/h2-10,17,21H,11,13H2,1H3/t17-,18+/m1/s1
InChIKey MYVUPPYBTMSRGY-MSOLQXFVSA-N
Mol Weight 315.41 g/mol
Molecular Formula C18H18FNOS
Exact Mass 315.109314 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DumlNQbCUqh
Name (3S,3'R)-4-FLUORO-3-HYDROXY-3-[[(4-METHYLPHENYL)-THIO]-[PHENYL]-METHYL]-BUTANENITRILE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18FNOS
InChI InChI=1S/C18H18FNOS/c1-14-7-9-16(10-8-14)22-17(15-5-3-2-4-6-15)18(21,13-19)11-12-20/h2-10,17,21H,11,13H2,1H3/t17-,18+/m1/s1
InChIKey MYVUPPYBTMSRGY-MSOLQXFVSA-N
Literature Reference Author P.BRAVO,M.FRIGERIO,G.FRONZA,V.SOLOSHONOK,F.VIANI,G.CAVICCHIO ,C.FABRIZI,D.LAMBA
Literature Reference Citation CAN.J.CHEM.,72,1769(1994)
Literature Reference DOI 10.1139/v94-224
Solvent CDCl3
Source File Reference UWPS2137