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6-CYANO-4,5-BIS-(METHOXYCARBONYL)-3-METHYL-1,2-DIHYDRO-4H-3-THIONIA-BENZOCYClOOCTEN-4-IDE
SpectraBase Compound ID GiGBAJN1RTN
InChI InChI=1S/C17H18NO4S/c1-21-16(19)14-13(10-18)12-7-5-4-6-11(12)8-9-23(3)15(14)17(20)22-2/h4-7,15H,8-9H2,1-3H3/b14-13+
InChIKey ZOFMNXYFEPWLRD-BUHFOSPRSA-N
Mol Weight 332.39 g/mol
Molecular Formula C17H18NO4S
Exact Mass 332.095654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVdGSaNTgzY
Name 6-CYANO-4,5-BIS-(METHOXYCARBONYL)-3-METHYL-1,2-DIHYDRO-4H-3-THIONIA-BENZOCYClOOCTEN-4-IDE
Compound Number 32A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18NO4S
InChI InChI=1S/C17H18NO4S/c1-21-16(19)14-13(10-18)12-7-5-4-6-11(12)8-9-23(3)15(14)17(20)22-2/h4-7,15H,8-9H2,1-3H3/b14-13+
InChIKey ZOFMNXYFEPWLRD-BUHFOSPRSA-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 332.394 g/mol
Solvent CDCl3
Source File Reference UWCP1446