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ACGJGSIPAHUHCV-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

ACGJGSIPAHUHCV-UHFFFAOYSA-N
SpectraBase Compound ID GjPMtk7U7ZL
InChI InChI=1S/C23H25F2N7.CH4O3S/c1-2-11-27-22-28-21(26)29-23(30-22)32-14-12-31(13-15-32)20(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17;1-5(2,3)4/h2-10,20H,1,11-15H2,(H3,26,27,28,29,30);1H3,(H,2,3,4)
InChIKey ACGJGSIPAHUHCV-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C24H29F2N7O3S
Exact Mass 533.202065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGwr0rQzuAq
Name ACGJGSIPAHUHCV-UHFFFAOYSA-N
Compound Number 5'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29F2N7O3S
InChI InChI=1S/C23H25F2N7.CH4O3S/c1-2-11-27-22-28-21(26)29-23(30-22)32-14-12-31(13-15-32)20(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17;1-5(2,3)4/h2-10,20H,1,11-15H2,(H3,26,27,28,29,30);1H3,(H,2,3,4)
InChIKey ACGJGSIPAHUHCV-UHFFFAOYSA-N
Literature Reference Author M.AMM,N.PLATZER,J.P.BOUCHET,J.P.VOLLAND
Literature Reference Citation MAGN.RES.CHEM.,39,77(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<77::aid-mrc801>3.0.co;2-h
Molecular Weight 533.596 g/mol
Solvent CD3OD
Source File Reference UWSI25005