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1,8-Bis(2-tetrahydropyranoxyethoxy)-9,10-bis(benzo[d][1,3]-dithiol-2-ylidene)anthracene
SpectraBase Compound ID Irp8G18gcRD
InChI InChI=1S/C42H40O6S4/c1-2-16-32-31(15-1)49-41(50-32)37-27-11-9-13-29(43-23-25-47-35-19-5-7-21-45-35)38(27)40(42-51-33-17-3-4-18-34(33)52-42)39-28(37)12-10-14-30(39)44-24-26-48-36-20-6-8-22-46-36/h1-4,9-18,35-36H,5-8,19-26H2
InChIKey DQRMSAHBUBPRJT-UHFFFAOYSA-N
Mol Weight 769.0 g/mol
Molecular Formula C42H40O6S4
Exact Mass 768.170774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Lbin1O5Ebi
Name 1,8-Bis(2-tetrahydropyranoxyethoxy)-9,10-bis(benzo[d][1,3]-dithiol-2-ylidene)anthracene
Alternate Name(s) 2-[2-({9,10-di(1,3-benzodithiol-2-ylidene)-8-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]-9,10-dihydro-1-anthracenyl}oxy)ethoxy]tetrahydro-2H-pyran
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Formula C42H40O6S4
InChI InChI=1S/C42H40O6S4/c1-2-16-32-31(15-1)49-41(50-32)37-27-11-9-13-29(43-23-25-47-35-19-5-7-21-45-35)38(27)40(42-51-33-17-3-4-18-34(33)52-42)39-28(37)12-10-14-30(39)44-24-26-48-36-20-6-8-22-46-36/h1-4,9-18,35-36H,5-8,19-26H2
InChIKey DQRMSAHBUBPRJT-UHFFFAOYSA-N
Molecular Weight 769.016 g/mol
SMILES C1(=C2Sc3ccccc3S2)c2c(cccc2OCCOC2OCCCC2)C(=C2Sc3ccccc3S2)c2c1c(OCCOC1OCCCC1)ccc2
SPLASH splash10-0w29-0109712200-7c94c4f145d94cc18585
Source of Spectrum H1-67-673-10
Wiley ID 1593471