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MHCBDUFTQRAHAN-IECZSSJRSA-N

View entire compound with spectra: 1 NMR

MHCBDUFTQRAHAN-IECZSSJRSA-N
SpectraBase Compound ID 5LfWQG4G1pb
InChI InChI=1S/C31H28N2O8S/c1-21-17-31(29(36)40-18-22-11-5-2-6-12-22,30(37)41-19-23-13-7-3-8-14-23)33-27(35)26(28(33)42(21)38)32-25(34)20-39-24-15-9-4-10-16-24/h2-16,26,28H,1,17-20H2,(H,32,34)/t26-,28-,42?/m0/s1
InChIKey MHCBDUFTQRAHAN-IECZSSJRSA-N
Mol Weight 588.63 g/mol
Molecular Formula C31H28N2O8S
Exact Mass 588.156637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNmjuOlZZf8
Name MHCBDUFTQRAHAN-IECZSSJRSA-N
Compound Number 22-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N2O8S
InChI InChI=1S/C31H28N2O8S/c1-21-17-31(29(36)40-18-22-11-5-2-6-12-22,30(37)41-19-23-13-7-3-8-14-23)33-27(35)26(28(33)42(21)38)32-25(34)20-39-24-15-9-4-10-16-24/h2-16,26,28H,1,17-20H2,(H,32,34)/t26-,28-,42?/m0/s1
InChIKey MHCBDUFTQRAHAN-IECZSSJRSA-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 588.632 g/mol
Solvent CDCl3
Source File Reference UWSI16147