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SHBBXKPKDSHINJ-XJYHXZFBSA-N

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SHBBXKPKDSHINJ-XJYHXZFBSA-N
SpectraBase Compound ID HhqFJjcYZZs
InChI InChI=1S/C30H26O6S2/c1-19-11-15-21(16-12-19)37(31,32)35-29-27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)30(29)36-38(33,34)22-17-13-20(2)14-18-22/h3-18,27-30H,1-2H3/t27-,28+,29-,30-/m0/s1
InChIKey SHBBXKPKDSHINJ-XJYHXZFBSA-N
Mol Weight 546.65 g/mol
Molecular Formula C30H26O6S2
Exact Mass 546.117081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6bJ7aOARBb
Name SHBBXKPKDSHINJ-XJYHXZFBSA-N
Compound Number 8-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O6S2
InChI InChI=1S/C30H26O6S2/c1-19-11-15-21(16-12-19)37(31,32)35-29-27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)30(29)36-38(33,34)22-17-13-20(2)14-18-22/h3-18,27-30H,1-2H3/t27-,28+,29-,30-/m0/s1
InChIKey SHBBXKPKDSHINJ-XJYHXZFBSA-N
Literature Reference Author D.E.AXELSON,C.E.HOLLOWAY
Literature Reference Citation CAN.J.CHEM.,54,2820(1976)
Literature Reference DOI 10.1139/v76-399
Molecular Weight 546.653 g/mol
Solvent CDCl3
Source File Reference UWED3981