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(2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioic acid S-methyl ester
SpectraBase Compound ID 99DMx1GEbDP
InChI InChI=1S/C13H15NO2S2/c1-16-12(13(15)17-2)10-7-8-18-11-6-4-3-5-9(11)14-10/h3-6,14H,7-8H2,1-2H3/b12-10+
InChIKey NUSDYZLNVQQHDL-ZRDIBKRKSA-N
Mol Weight 281.39 g/mol
Molecular Formula C13H15NO2S2
Exact Mass 281.054421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lMjojHE265
Name (2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioic acid S-methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15NO2S2
InChI InChI=1S/C13H15NO2S2/c1-16-12(13(15)17-2)10-7-8-18-11-6-4-3-5-9(11)14-10/h3-6,14H,7-8H2,1-2H3/b12-10+
InChIKey NUSDYZLNVQQHDL-ZRDIBKRKSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 281.388 g/mol
Source File Reference MHKO21797