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1,6,10,15,19,24-HEXATHIACYCLOHEPTACOSA-2,4,11,13,20,22-HEXAYNE
SpectraBase Compound ID Dd7CyIcb512
InChI InChI=1S/C21H18S6/c1-2-11-23-17-8-19-25-13-5-6-15-27-21-9-20-26-14-4-3-12-24-18-7-16-22-10-1/h7-9,16-21H2
InChIKey HFFVXDIXQIFHJG-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C21H18S6
Exact Mass 461.973278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JxkOmQ3VSR
Name 1,6,10,15,19,24-HEXATHIACYCLOHEPTACOSA-2,4,11,13,20,22-HEXAYNE
Compound Number 8(3)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18S6
InChI InChI=1S/C21H18S6/c1-2-11-23-17-8-19-25-13-5-6-15-27-21-9-20-26-14-4-3-12-24-18-7-16-22-10-1/h7-9,16-21H2
InChIKey HFFVXDIXQIFHJG-UHFFFAOYSA-N
Literature Reference Author D.B.WERZ,R.GLEITER,F.ROMINGER
Literature Reference Citation J.ORG.CHEM.,69,2945(2004)
Literature Reference DOI 10.1021/jo035882+
Molecular Weight 462.734 g/mol
Solvent CD2Cl2
Source File Reference UWVN21305