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2-METHYL-6-METHYLTHIO-ISOQUINOLINE-3,5,8-(2H)-TRIONE
SpectraBase Compound ID 52himxmcnTf
InChI InChI=1S/C11H9NO3S/c1-12-5-7-6(3-10(12)14)11(15)9(16-2)4-8(7)13/h3-5H,1-2H3
InChIKey FQUMKAMMIHTWOX-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C11H9NO3S
Exact Mass 235.030314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hlRFLsbgre
Name 2-METHYL-6-METHYLTHIO-ISOQUINOLINE-3,5,8-(2H)-TRIONE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9NO3S
InChI InChI=1S/C11H9NO3S/c1-12-5-7-6(3-10(12)14)11(15)9(16-2)4-8(7)13/h3-5H,1-2H3
InChIKey FQUMKAMMIHTWOX-UHFFFAOYSA-N
Literature Reference Author A.J.BLACKMAN,C.E.RALPH,B.W.SKELTON,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,46,213(1993)
Literature Reference DOI 10.1071/ch9930213
Molecular Weight 235.257 g/mol
Solvent CDCl3
Source File Reference UWPR1526