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XCWDGBKUNLVWHH-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

XCWDGBKUNLVWHH-UHFFFAOYSA-N
SpectraBase Compound ID 1an7Oi0N8ap
InChI InChI=1S/C17H22ClN4O3PS/c1-5-24-26(23,25-6-2)17(12(3)4)15(13-7-9-14(18)10-8-13)21-22-11-19-20-16(22)27-17/h7-12H,5-6H2,1-4H3
InChIKey XCWDGBKUNLVWHH-UHFFFAOYSA-N
Mol Weight 428.87 g/mol
Molecular Formula C17H22ClN4O3PS
Exact Mass 428.083876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DptEKUWVniW
Name XCWDGBKUNLVWHH-UHFFFAOYSA-N
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22ClN4O3PS
InChI InChI=1S/C17H22ClN4O3PS/c1-5-24-26(23,25-6-2)17(12(3)4)15(13-7-9-14(18)10-8-13)21-22-11-19-20-16(22)27-17/h7-12H,5-6H2,1-4H3
InChIKey XCWDGBKUNLVWHH-UHFFFAOYSA-N
Literature Reference Author W.M.ABDOU,N.A.GANUB,E.SABRY
Literature Reference Citation ACTA.PHARM.,64,XX,1(2014)
Molecular Weight 428.873 g/mol
Solvent CDCl3
Source File Reference UWLU78921