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ISOBATZELLINE-A

View entire compound with spectra: 1 NMR

ISOBATZELLINE-A
SpectraBase Compound ID GBkMCFJDXsw
InChI InChI=1S/C12H12ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4,14H2,1-2H3
InChIKey CWQZDUYOMXCYKI-UHFFFAOYSA-N
Mol Weight 281.76 g/mol
Molecular Formula C12H12ClN3OS
Exact Mass 281.038961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oxJURZqpMk
Name ISOBATZELLINE-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12ClN3OS
InChI InChI=1S/C12H12ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4,14H2,1-2H3
InChIKey CWQZDUYOMXCYKI-UHFFFAOYSA-N
Literature Reference Author H.H.SUN,S.SAKEMI,N.BURRES,P.MCCARTHY
Literature Reference Citation J.ORG.CHEM.,55,4964(1990)
Literature Reference DOI 10.1021/jo00303a043
Molecular Weight 281.760 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWED11118