For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

PSMMAPLIN-A

View entire compound with spectra: 3 NMR

PSMMAPLIN-A
SpectraBase Compound ID 7xKdMWtPnmV
InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18-
InChIKey LMAFSGDNHVBIHU-HJTNQMAYSA-N
Mol Weight 664.38 g/mol
Molecular Formula C22H24Br2N4O6S2
Exact Mass 661.950403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8S5KfvLzAS6
Name PSMMAPLIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br2N4O6S2
InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17-,28-18-
InChIKey LMAFSGDNHVBIHU-HJTNQMAYSA-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 662.368 g/mol
Solvent CD3OD
Source File Reference UWLU31041