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

*Links on SpectraBase are not permalinks.

BNYRCZHEDWIUQT-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

BNYRCZHEDWIUQT-UHFFFAOYSA-M
SpectraBase Compound ID ATjGV8Bngfr
InChI InChI=1S/C24H22N4O3S.3CHO.Re/c1-16-5-10-20-21(12-16)32-24(27-20)17-6-8-18(9-7-17)26-22(29)14-28(15-23(30)31)13-19-4-2-3-11-25-19;3*1-2;/h2-12H,13-15H2,1H3,(H,26,29)(H,30,31);3*1H;/q;;;;+1/p-1
InChIKey BNYRCZHEDWIUQT-UHFFFAOYSA-M
Mol Weight 718.78 g/mol
Molecular Formula C27H24N4O6ReS
Exact Mass 719.097408 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 IyrMVRTCTKF
Name BNYRCZHEDWIUQT-UHFFFAOYSA-M
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24N4O6ReS
InChI InChI=1S/C24H22N4O3S.3CHO.Re/c1-16-5-10-20-21(12-16)32-24(27-20)17-6-8-18(9-7-17)26-22(29)14-28(15-23(30)31)13-19-4-2-3-11-25-19;3*1-2;/h2-12H,13-15H2,1H3,(H,26,29)(H,30,31);3*1H;/q;;;;+1/p-1
InChIKey BNYRCZHEDWIUQT-UHFFFAOYSA-M
Literature Reference Author S.TZANOPOULOU,M.SAGNOU,M.PARAVATOU-PETSOTAS,E.GOURNI,G.JOUDO S,S.XANTHOPOULOS,D.L
Literature Reference Citation J.MED.CHEM.,53,4633(2010)
Literature Reference DOI 10.1021/jm1001293
Molecular Weight 718.778 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46176