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YQZITHZXEIIKGG-UHFFFAOYSA-N

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YQZITHZXEIIKGG-UHFFFAOYSA-N
SpectraBase Compound ID DD9bU7RSzJV
InChI InChI=1S/C40H38N2O5S/c1-30(38(44)46-27-31-17-7-2-8-18-31)41-37(43)36(42-39(45)47-28-32-19-9-3-10-20-32)29-48-40(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,30,36H,27-29H2,1H3,(H,41,43)(H,42,45)
InChIKey YQZITHZXEIIKGG-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C40H38N2O5S
Exact Mass 658.250144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjxEmjVyjyp
Name YQZITHZXEIIKGG-UHFFFAOYSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38N2O5S
InChI InChI=1S/C40H38N2O5S/c1-30(38(44)46-27-31-17-7-2-8-18-31)41-37(43)36(42-39(45)47-28-32-19-9-3-10-20-32)29-48-40(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35/h2-26,30,36H,27-29H2,1H3,(H,41,43)(H,42,45)
InChIKey YQZITHZXEIIKGG-UHFFFAOYSA-N
Literature Reference Author M.GINANNESCHI,M.CHELLI,A.M.PAPINI,D.PINZANI,G.RAPI
Literature Reference Citation MAGN.RES.CHEM.,34,95(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199602)34:2<95::aid-omr855>3.0.co;2-v
Molecular Weight 658.812 g/mol
Solvent CDCl3
Source File Reference UWCP2322