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XPGAHUAETUMSQV-IXCJQBJRSA-N

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XPGAHUAETUMSQV-IXCJQBJRSA-N
SpectraBase Compound ID CbByKAa7BaC
InChI InChI=1S/C31H28N2O6S/c1-2-18-31(29(35)38-19-22-12-6-3-7-13-22,30(36)39-20-23-14-8-4-9-15-23)33-27(34)26-28(33)40-25(32-26)21-37-24-16-10-5-11-17-24/h2-17,26,28H,1,18-21H2/t26-,28-/m1/s1
InChIKey XPGAHUAETUMSQV-IXCJQBJRSA-N
Mol Weight 556.63 g/mol
Molecular Formula C31H28N2O6S
Exact Mass 556.166808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AS18OWRR0fT
Name XPGAHUAETUMSQV-IXCJQBJRSA-N
Compound Number 14-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N2O6S
InChI InChI=1S/C31H28N2O6S/c1-2-18-31(29(35)38-19-22-12-6-3-7-13-22,30(36)39-20-23-14-8-4-9-15-23)33-27(34)26-28(33)40-25(32-26)21-37-24-16-10-5-11-17-24/h2-17,26,28H,1,18-21H2/t26-,28-/m1/s1
InChIKey XPGAHUAETUMSQV-IXCJQBJRSA-N
Literature Reference Author S.WOLFE,S.RO,C.K.KIM,Z.SHI
Literature Reference Citation CAN.J.CHEM.,79,1238(2001)
Literature Reference DOI 10.1139/cjc-79-8-1238
Molecular Weight 556.633 g/mol
Solvent CDCl3