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4,4',5,5'-tetrakis(p-acetoxybenzylsulfanyl)tetrathiafulvalene
SpectraBase Compound ID 9Ep8Jmd0RG6
InChI InChI=1S/C42H36O8S8/c1-25(43)47-33-13-5-29(6-14-33)21-51-37-38(52-22-30-7-15-34(16-8-30)48-26(2)44)56-41(55-37)42-57-39(53-23-31-9-17-35(18-10-31)49-27(3)45)40(58-42)54-24-32-11-19-36(20-12-32)50-28(4)46/h5-20H,21-24H2,1-4H3
InChIKey ZYEZSCOTVDELQG-UHFFFAOYSA-N
Mol Weight 925.2 g/mol
Molecular Formula C42H36O8S8
Exact Mass 924.017588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bsb13M6aXD
Name 4,4',5,5'-tetrakis(p-acetoxybenzylsulfanyl)tetrathiafulvalene
Alternate Name(s) 4-({[5-({[4-(acetyloxy)phenyl]methyl}sulfanyl)-2-[4,5-bis({[4-(acetyloxy)phenyl]methyl}sulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl]sulfanyl}methyl)phenyl acetate Acetic acid [4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-[4,5-bis[(4-acetyloxyphenyl)methylthio]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]phenyl] ester [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-[4,5-bis[(4-acetyloxyphenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-[4,5-bis[(4-acetoxyphenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-[4,5-bis[(4-acetyloxyphenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] ethanoate
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Formula C42H36O8S8
InChI InChI=1S/C42H36O8S8/c1-25(43)47-33-13-5-29(6-14-33)21-51-37-38(52-22-30-7-15-34(16-8-30)48-26(2)44)56-41(55-37)42-57-39(53-23-31-9-17-35(18-10-31)49-27(3)45)40(58-42)54-24-32-11-19-36(20-12-32)50-28(4)46/h5-20H,21-24H2,1-4H3
InChIKey ZYEZSCOTVDELQG-UHFFFAOYSA-N
Molecular Weight 925.222 g/mol
SMILES C1(=C2SC(SCc3ccc(OC(=O)C)cc3)=C(S2)SCc2ccc(OC(=O)C)cc2)SC(SCc2ccc(OC(=O)C)cc2)=C(S1)SCc1ccc(OC(=O)C)cc1
SPLASH splash10-00b9-0000000009-ae19c66c3d4bdf5bfdb2
Source of Spectrum KC-0-2718-4
Wiley ID 782270