John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6iN9vNJzu2Z SpectraBase Spectrum ID=GIAs07grAoO

(accessed ).
BDBVCNBVGYDBHA-XCZPVHLTSA-N
SpectraBase Compound ID 6iN9vNJzu2Z
InChI InChI=1S/C31H28N2O7S/c1-21-17-31(29(36)39-18-22-11-5-2-6-12-22,30(37)40-19-23-13-7-3-8-14-23)33-27(35)26(28(33)41-21)32-25(34)20-38-24-15-9-4-10-16-24/h2-16,26,28H,1,17-20H2,(H,32,34)/t26-,28-/m0/s1
InChIKey BDBVCNBVGYDBHA-XCZPVHLTSA-N
Mol Weight 572.63 g/mol
Molecular Formula C31H28N2O7S
Exact Mass 572.161723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIAs07grAoO
Name BDBVCNBVGYDBHA-XCZPVHLTSA-N
Compound Number 23-I
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N2O7S
InChI InChI=1S/C31H28N2O7S/c1-21-17-31(29(36)39-18-22-11-5-2-6-12-22,30(37)40-19-23-13-7-3-8-14-23)33-27(35)26(28(33)41-21)32-25(34)20-38-24-15-9-4-10-16-24/h2-16,26,28H,1,17-20H2,(H,32,34)/t26-,28-/m0/s1
InChIKey BDBVCNBVGYDBHA-XCZPVHLTSA-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 572.633 g/mol
Solvent CDCl3
Source File Reference UWSI16151
SpectraBase Batch ID 5GS9bDn1NOs