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N-(1-ETHYLTHIOPHENYLMETHYL)-BENZENECARBOXIMIDO-THIOIC-ACID-ETHYLESTER
SpectraBase Compound ID Ie7eAbB8U1n
InChI InChI=1S/2C18H21NS2/c2*1-3-20-17(15-11-7-5-8-12-15)19-18(21-4-2)16-13-9-6-10-14-16/h2*5-14,17H,3-4H2,1-2H3/b2*19-18-
InChIKey WKMYACRVRDWAGU-GFAFKCAUSA-N
Mol Weight 630.99 g/mol
Molecular Formula C36H42N2S4
Exact Mass 630.223084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7c7itSQu1v
Name N-(1-ETHYLTHIOPHENYLMETHYL)-BENZENECARBOXIMIDO-THIOIC-ACID-ETHYLESTER
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N2S4
InChI InChI=1S/2C18H21NS2/c2*1-3-20-17(15-11-7-5-8-12-15)19-18(21-4-2)16-13-9-6-10-14-16/h2*5-14,17H,3-4H2,1-2H3/b2*19-18-
InChIKey WKMYACRVRDWAGU-GFAFKCAUSA-N
Literature Reference Author T.MURAI,H.ASO,Y.TATEMATSU,Y.ITOH,H.NIWA,S.KATO
Literature Reference Citation J.ORG.CHEM.,68,8514(2003)
Literature Reference DOI 10.1021/jo034934s
Molecular Weight 630.983 g/mol
Solvent Unknown
Source File Reference UWVN21078