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O-METHYL-S-BUTYL-N-(2-CHLOROACRIDIN-9-YL)-IMINOTHIOCARBONATE
SpectraBase Compound ID CtJzmNunQIQ
InChI InChI=1S/C19H19ClN2OS/c1-3-4-11-24-19(23-2)22-18-14-7-5-6-8-16(14)21-17-10-9-13(20)12-15(17)18/h5-10,12H,3-4,11H2,1-2H3/b22-19+
InChIKey CQURCBLRBBBMSZ-ZBJSNUHESA-N
Mol Weight 358.89 g/mol
Molecular Formula C19H19ClN2OS
Exact Mass 358.090662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aMCZYrVP2k
Name O-METHYL-S-BUTYL-N-(2-CHLOROACRIDIN-9-YL)-IMINOTHIOCARBONATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19ClN2OS
InChI InChI=1S/C19H19ClN2OS/c1-3-4-11-24-19(23-2)22-18-14-7-5-6-8-16(14)21-17-10-9-13(20)12-15(17)18/h5-10,12H,3-4,11H2,1-2H3/b22-19+
InChIKey CQURCBLRBBBMSZ-ZBJSNUHESA-N
Literature Reference Author P.KRISTIAN,J.BERNAT,D.MAZAGOVA,M.ANTALIK
Literature Reference Citation HETEROCYCLES,40,837(1995)
Literature Reference DOI 10.3987/COM-94-S78
Molecular Weight 358.886 g/mol
Solvent CDCl3
Source File Reference UWCP2677