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PSMMAPLIN-K
SpectraBase Compound ID Gfprepp5xUi
InChI InChI=1S/C22H24Br2N4O7S2/c23-14-7-12(1-2-18(14)29)9-16(27-34)21(32)25-3-5-36-37-6-4-26-22(33)17(28-35)10-13-8-15(24)20(31)19(30)11-13/h1-2,7-8,11,29-31,34-35H,3-6,9-10H2,(H,25,32)(H,26,33)/b27-16-,28-17-
InChIKey BOJWQLNXCSQXKS-KYGWZODQSA-N
Mol Weight 680.38 g/mol
Molecular Formula C22H24Br2N4O7S2
Exact Mass 677.945317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOc05JtYJWr
Name PSMMAPLIN-K
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br2N4O7S2
InChI InChI=1S/C22H24Br2N4O7S2/c23-14-7-12(1-2-18(14)29)9-16(27-34)21(32)25-3-5-36-37-6-4-26-22(33)17(28-35)10-13-8-15(24)20(31)19(30)11-13/h1-2,7-8,11,29-31,34-35H,3-6,9-10H2,(H,25,32)(H,26,33)/b27-16-,28-17-
InChIKey BOJWQLNXCSQXKS-KYGWZODQSA-N
Literature Reference Author J.N.TABUDRAVU,V.G.H.EIHSINK,G.W.GOODAY,M.JASPARS,D.KOMANDER, M.LEGG,B.SYNSTAD,D.
Literature Reference Citation BIOORG.MED.CHEM.,10,1123(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00372-8
Molecular Weight 678.367 g/mol
Solvent CD3OD
Source File Reference UWLU31042