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ISOBUTYL-[2-(3-BENZYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE]
SpectraBase Compound ID 44hwhBsBnWo
InChI InChI=1S/C18H22N2O2S/c1-14(2)13-22-18(21)16(11-19)17-20(9-6-10-23-17)12-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/b17-16-
InChIKey RYYMBTYRURKADU-MSUUIHNZSA-N
Mol Weight 330.45 g/mol
Molecular Formula C18H22N2O2S
Exact Mass 330.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjuV8vg2zZZ
Name ISOBUTYL-[2-(3-BENZYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE]
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O2S
InChI InChI=1S/C18H22N2O2S/c1-14(2)13-22-18(21)16(11-19)17-20(9-6-10-23-17)12-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/b17-16-
InChIKey RYYMBTYRURKADU-MSUUIHNZSA-N
Literature Reference Author W.HANEFELD,H.HARMS
Literature Reference Citation J.HETCYCL.CHEM.,34,1621(1997)
Literature Reference DOI 10.1002/jhet.5570340538
Molecular Weight 330.445 g/mol
Solvent CDCl3
Source File Reference UWSW505