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ETHYL-1-BENZYL-5-ETHYL-2-METHYL-6-PHENYLTHIO-1,6,7,8-TETRAHYDROAZOCINE-3-CARBOXYLATE
SpectraBase Compound ID jkjY5LyO14
InChI InChI=1S/C25H29NO2S/c1-3-21-17-22(25(27)28-4-2)19-26(18-20-11-7-5-8-12-20)16-15-24(21)29-23-13-9-6-10-14-23/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3/b21-17-,22-19+
InChIKey JMJIOPKDUFWNGW-OJKJNISSSA-N
Mol Weight 407.57 g/mol
Molecular Formula C25H29NO2S
Exact Mass 407.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COgBu0d4HuU
Name ETHYL-1-BENZYL-5-ETHYL-2-METHYL-6-PHENYLTHIO-1,6,7,8-TETRAHYDROAZOCINE-3-CARBOXYLATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29NO2S
InChI InChI=1S/C25H29NO2S/c1-3-21-17-22(25(27)28-4-2)19-26(18-20-11-7-5-8-12-20)16-15-24(21)29-23-13-9-6-10-14-23/h5-14,17,19,24H,3-4,15-16,18H2,1-2H3/b21-17-,22-19+
InChIKey JMJIOPKDUFWNGW-OJKJNISSSA-N
Literature Reference Author A.C.L.B.TRINDADE,D.C.D.SANTOS,L.GIL,C.MARAZANO,R.P.D.F.GIL
Literature Reference Citation EUR.J.ORG.CHEM.,1052(2005)
Molecular Weight 407.571 g/mol
Sample ID 30830
Solvent CDCl3