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Hexathioorthooxalic acid, hexaphenyl ester

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Hexathioorthooxalic acid, hexaphenyl ester
SpectraBase Compound ID LLaBJnQL6uy
InChI InChI=1S/C38H30S6/c1-7-19-31(20-8-1)39-37(40-32-21-9-2-10-22-32,41-33-23-11-3-12-24-33)38(42-34-25-13-4-14-26-34,43-35-27-15-5-16-28-35)44-36-29-17-6-18-30-36/h1-30H
InChIKey FTYIYHNPEXVEAP-UHFFFAOYSA-N
Mol Weight 679.0 g/mol
Molecular Formula C38H30S6
Exact Mass 678.067178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAqfg4bZLfA
Name Hexathioorthooxalic acid, hexaphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 678.067178010 u
Formula C38H30S6
InChI InChI=1S/C38H30S6/c1-7-19-31(20-8-1)39-37(40-32-21-9-2-10-22-32,41-33-23-11-3-12-24-33)38(42-34-25-13-4-14-26-34,43-35-27-15-5-16-28-35)44-36-29-17-6-18-30-36/h1-30H
InChIKey FTYIYHNPEXVEAP-UHFFFAOYSA-N
SMILES C=1C=CC=C(C1)SC(C(SC=1C=CC=CC1)(SC=1C=CC=CC1)SC1=CC=CC=C1)(SC1=CC=CC=C1)SC=1C=CC=CC1