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AJKULXZQAARFJK-UHFFFAOYSA-N
SpectraBase Compound ID 9jmN2Q4b7QB
InChI InChI=1S/C29H25N5O6S/c1-19(35)31(20(2)36)25-18-30-27(37)32(21-12-6-4-7-13-21)28(38)33(30)29(3)26(25)23-16-10-11-17-24(23)34(29)41(39,40)22-14-8-5-9-15-22/h4-17H,18H2,1-3H3
InChIKey AJKULXZQAARFJK-UHFFFAOYSA-N
Mol Weight 571.61 g/mol
Molecular Formula C29H25N5O6S
Exact Mass 571.152555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nsqWwG3kj7
Name AJKULXZQAARFJK-UHFFFAOYSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H25N5O6S
InChI InChI=1S/C29H25N5O6S/c1-19(35)31(20(2)36)25-18-30-27(37)32(21-12-6-4-7-13-21)28(38)33(30)29(3)26(25)23-16-10-11-17-24(23)34(29)41(39,40)22-14-8-5-9-15-22/h4-17H,18H2,1-3H3
InChIKey AJKULXZQAARFJK-UHFFFAOYSA-N
Literature Reference Author U.PINDUR,C.OTTO,M.MOLINIER,W.MASSA
Literature Reference Citation HELV.CHIM.ACTA,74,727(1991)
Literature Reference DOI 10.1002/hlca.19910740406
Molecular Weight 571.607 g/mol
Solvent CDCl3
Source File Reference UWVP5499