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DIMETHYL-7-CYANO-1,2,4,5-TETRAHYDRO-3-BENZOTHIONINE-5,6-DICARBOXYLATE
SpectraBase Compound ID 2s8pDAEopuW
InChI InChI=1S/C17H17NO4S/c1-21-16(19)14-10-23-8-7-11-5-3-4-6-12(11)13(9-18)15(14)17(20)22-2/h3-6,14H,7-8,10H2,1-2H3/b15-13+
InChIKey XLXMGZLLUUAWNC-FYWRMAATSA-N
Mol Weight 331.39 g/mol
Molecular Formula C17H17NO4S
Exact Mass 331.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5olXMxnUK9
Name DIMETHYL-7-CYANO-1,2,4,5-TETRAHYDRO-3-BENZOTHIONINE-5,6-DICARBOXYLATE
Compound Number 30A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17NO4S
InChI InChI=1S/C17H17NO4S/c1-21-16(19)14-10-23-8-7-11-5-3-4-6-12(11)13(9-18)15(14)17(20)22-2/h3-6,14H,7-8,10H2,1-2H3/b15-13+
InChIKey XLXMGZLLUUAWNC-FYWRMAATSA-N
Literature Reference Author T.KATAOKA,M.KATAOKA,M.IKEMORI,H.SHIMIZU,M.HORI,I.MIURA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1973(1993)
Literature Reference DOI 10.1039/p19930001973
Molecular Weight 331.386 g/mol
Solvent CDCl3
Source File Reference UWCP1445