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ISOBUTYL-[2-(3-METHYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE
SpectraBase Compound ID 9SLYhF98hTp
InChI InChI=1S/C12H18N2O2S/c1-9(2)8-16-12(15)10(7-13)11-14(3)5-4-6-17-11/h9H,4-6,8H2,1-3H3/b11-10-
InChIKey ZHFFXUOXRZKFCU-KHPPLWFESA-N
Mol Weight 254.35 g/mol
Molecular Formula C12H18N2O2S
Exact Mass 254.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIlnKZ7VS62
Name ISOBUTYL-[2-(3-METHYL-TETRAHYDRO-(2H)-1,3-THIAZIN-2-YLIDENE)-CYANOACETATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O2S
InChI InChI=1S/C12H18N2O2S/c1-9(2)8-16-12(15)10(7-13)11-14(3)5-4-6-17-11/h9H,4-6,8H2,1-3H3/b11-10-
InChIKey ZHFFXUOXRZKFCU-KHPPLWFESA-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 254.347 g/mol
Solvent CDCl3
Source File Reference UWSW506