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SQTOWYCXKOTWHK-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

SQTOWYCXKOTWHK-UHFFFAOYSA-N
SpectraBase Compound ID 8KN1qonAiOa
InChI InChI=1S/C35H25N5O2S2/c1-20-30(43-34(36-20)22-9-5-3-6-10-22)32(41)38-26-15-13-24-17-25-14-16-27(19-29(25)40-28(24)18-26)39-33(42)31-21(2)37-35(44-31)23-11-7-4-8-12-23/h3-19H,1-2H3,(H,38,41)(H,39,42)
InChIKey SQTOWYCXKOTWHK-UHFFFAOYSA-N
Mol Weight 611.7 g/mol
Molecular Formula C35H25N5O2S2
Exact Mass 611.144967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45PrhZQp0sd
Name SQTOWYCXKOTWHK-UHFFFAOYSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H25N5O2S2
InChI InChI=1S/C35H25N5O2S2/c1-20-30(43-34(36-20)22-9-5-3-6-10-22)32(41)38-26-15-13-24-17-25-14-16-27(19-29(25)40-28(24)18-26)39-33(42)31-21(2)37-35(44-31)23-11-7-4-8-12-23/h3-19H,1-2H3,(H,38,41)(H,39,42)
InChIKey SQTOWYCXKOTWHK-UHFFFAOYSA-N
Literature Reference Author Y.BENCHABANE,G.BOYER,R.FAURE
Literature Reference Citation MAGN.RES.CHEM.,47,706(2009)
Literature Reference DOI 10.1002/mrc.2441
Molecular Weight 611.736 g/mol
Solvent DMSO-D6
Source File Reference UWLU79866