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6,7-Bis(methylthio)-2,3-Bis(3-tosyloxypropylthio)tetrathiafulvalene
SpectraBase Compound ID 7gzbavOanCF
InChI InChI=1S/C28H32O6S10/c1-19-7-11-21(12-8-19)43(29,30)33-15-5-17-37-25-26(42-28(41-25)27-39-23(35-3)24(36-4)40-27)38-18-6-16-34-44(31,32)22-13-9-20(2)10-14-22/h7-14H,5-6,15-18H2,1-4H3
InChIKey PGGBMWAMZNYYKY-UHFFFAOYSA-N
Mol Weight 785.2 g/mol
Molecular Formula C28H32O6S10
Exact Mass 783.9406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n22pgCMY51
Name 6,7-Bis(methylthio)-2,3-Bis(3-tosyloxypropylthio)tetrathiafulvalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O6S10
InChI InChI=1S/C28H32O6S10/c1-19-7-11-21(12-8-19)43(29,30)33-15-5-17-37-25-26(42-28(41-25)27-39-23(35-3)24(36-4)40-27)38-18-6-16-34-44(31,32)22-13-9-20(2)10-14-22/h7-14H,5-6,15-18H2,1-4H3
InChIKey PGGBMWAMZNYYKY-UHFFFAOYSA-N
Molecular Weight 785.158 g/mol
SMILES C1(=C2SC(SC)=C(S2)SC)SC(SCCCOS(c2ccc(cc2)C)(=O)=O)=C(S1)SCCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9000040200-d760b6e42cd2933f816c
Source of Spectrum SO-0-1018-3
Synonyms 3-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-[(3-{[(4-methylbenzene)sulfonyl]oxy}propyl)sulfanyl]-2H-1,3-dithiol-4-yl}sulfanyl)propyl 4-methylbenzene-1-sulfonate
Wiley ID 874721