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TRANS-2-CYANO-3-PHENYLTHIO-1-PIPERIDINECARBOXYLIC-ACID-PHENYLESTER
SpectraBase Compound ID I6CP9YyxBKc
InChI InChI=1S/2C19H18N2O2S/c2*20-14-17-18(24-16-10-5-2-6-11-16)12-7-13-21(17)19(22)23-15-8-3-1-4-9-15/h2*1-6,8-11,17-18H,7,12-13H2/t2*17-,18+/m11/s1
InChIKey STLRZYRWZPUYGR-NAFBYIBWSA-N
Mol Weight 676.85 g/mol
Molecular Formula C38H36N4O4S2
Exact Mass 676.217798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nJFcCOnGgq
Name TRANS-2-CYANO-3-PHENYLTHIO-1-PIPERIDINECARBOXYLIC-ACID-PHENYLESTER
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36N4O4S2
InChI InChI=1S/2C19H18N2O2S/c2*20-14-17-18(24-16-10-5-2-6-11-16)12-7-13-21(17)19(22)23-15-8-3-1-4-9-15/h2*1-6,8-11,17-18H,7,12-13H2/t2*17-,18+/m11/s1
InChIKey STLRZYRWZPUYGR-NAFBYIBWSA-N
Literature Reference Author P.STANETTY,M.D.MIHOVILOVIC,K.MEREITER
Literature Reference Citation MH.CHEM.,128,1061(1997)
Literature Reference DOI 10.1007/BF00806971
Molecular Weight 676.848 g/mol
Solvent CDCl3
Source File Reference UWRK2958