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NWHBRSDQNSFCAA-UHFFFAOYSA-N
SpectraBase Compound ID 1JqLAywe5QZ
InChI InChI=1S/2C19H17FN4S/c2*1-4-25-19-16(9-21)18-17(12(2)23-19)13(3)24(11-22-18)10-14-5-7-15(20)8-6-14/h2*5-8,11H,3-4,10H2,1-2H3
InChIKey NWHBRSDQNSFCAA-UHFFFAOYSA-N
Mol Weight 704.86 g/mol
Molecular Formula C38H34F2N8S2
Exact Mass 704.231592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBCA9JSLt5X
Name NWHBRSDQNSFCAA-UHFFFAOYSA-N
Compound Number I-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34F2N8S2
InChI InChI=1S/2C19H17FN4S/c2*1-4-25-19-16(9-21)18-17(12(2)23-19)13(3)24(11-22-18)10-14-5-7-15(20)8-6-14/h2*5-8,11H,3-4,10H2,1-2H3
InChIKey NWHBRSDQNSFCAA-UHFFFAOYSA-N
Literature Reference Author G.XU,J.SONG,J.HE,Q.REN,W.MO,H.XU,S.SUN,H.HE,Y.CUI
Literature Reference Citation MAGN.RES.CHEM.,50,646(2012)
Literature Reference DOI 10.1002/mrc.3853
Molecular Weight 704.858 g/mol
Solvent CDCl3
Source File Reference UWLU82288