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Trithia-'in'-Cyclophane-Trisulfone
SpectraBase Compound ID 7iYIgMYdtO3
InChI InChI=1S/C33H28O6S3/c1-33-30-22-5-2-8-26(30)29-27-9-3-6-23(31(27)33)17-41(36,37)15-21-12-11-20(14-40(34,35)16-22)13-25(21)19-42(38,39)18-24-7-4-10-28(29)32(24)33/h2-13,29H,14-19H2,1H3/t29-,33+/m0/s1
InChIKey FAFLTTAWYXFICZ-RYCFQHDISA-N
Mol Weight 616.8 g/mol
Molecular Formula C33H28O6S3
Exact Mass 616.104802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLzudgmV5rh
Name Trithia-'in'-Cyclophane-Trisulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28O6S3
InChI InChI=1S/C33H28O6S3/c1-33-30-22-5-2-8-26(30)29-27-9-3-6-23(31(27)33)17-41(36,37)15-21-12-11-20(14-40(34,35)16-22)13-25(21)19-42(38,39)18-24-7-4-10-28(29)32(24)33/h2-13,29H,14-19H2,1H3/t29-,33+/m0/s1
InChIKey FAFLTTAWYXFICZ-RYCFQHDISA-N
Molecular Weight 616.761 g/mol
SMILES [C@@]12(c3c4cccc3CS(=O)(=O)Cc3cc5CS(Cc6c1c(ccc6)[C@@]4(c1c2c(CS(Cc5cc3)(=O)=O)ccc1)[H])(=O)=O)C
SPLASH splash10-004i-0040900000-f5287ee86b80c09f7dcd
Source of Spectrum C-127-11247-10
Wiley ID 1701569