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ISOBATZELLINE-D

View entire compound with spectra: 1 NMR

ISOBATZELLINE-D
SpectraBase Compound ID CiYxUsRtvsx
InChI InChI=1S/C12H10ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4H,14H2,1-2H3
InChIKey LZIUSIOMRWTXQX-UHFFFAOYSA-N
Mol Weight 279.75 g/mol
Molecular Formula C12H10ClN3OS
Exact Mass 279.023311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpRHWfsaTMP
Name ISOBATZELLINE-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10ClN3OS
InChI InChI=1S/C12H10ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4H,14H2,1-2H3
InChIKey LZIUSIOMRWTXQX-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 279.744 g/mol
Solvent DMSO-D6
Source File Reference UWED11121