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SEKQMWXPNVFXGI-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

SEKQMWXPNVFXGI-UHFFFAOYSA-N
SpectraBase Compound ID HLAPe0E0Wno
InChI InChI=1S/C17H25N6O3PS2/c1-5-25-27(24,26-6-2)14(15(18)28)17(21-23-11-19-20-16(23)29-17)12-7-9-13(10-8-12)22(3)4/h7-11,14,21H,5-6H2,1-4H3,(H2,18,28)
InChIKey SEKQMWXPNVFXGI-UHFFFAOYSA-N
Mol Weight 456.52 g/mol
Molecular Formula C17H25N6O3PS2
Exact Mass 456.116718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfeK04C4Vnu
Name SEKQMWXPNVFXGI-UHFFFAOYSA-N
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N6O3PS2
InChI InChI=1S/C17H25N6O3PS2/c1-5-25-27(24,26-6-2)14(15(18)28)17(21-23-11-19-20-16(23)29-17)12-7-9-13(10-8-12)22(3)4/h7-11,14,21H,5-6H2,1-4H3,(H2,18,28)
InChIKey SEKQMWXPNVFXGI-UHFFFAOYSA-N
Literature Reference Author W.M.ABDOU,N.A.GANUB,E.SABRY
Literature Reference Citation ACTA.PHARM.,64,XX,1(2014)
Molecular Weight 456.518 g/mol
Solvent CDCl3
Source File Reference UWLU78910