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2,2'-[2',7',10',15'-Tetramethylhexadexca-2',4',6',8',10',12',14'-heptaene-1',16'-diyl]-bis(1",3"-benzodithiol)
SpectraBase Compound ID CooP1dIx1DQ
InChI InChI=1S/C34H32S4/c1-25(13-5-7-15-27(3)23-33-35-29-17-9-10-18-30(29)36-33)21-22-26(2)14-6-8-16-28(4)24-34-37-31-19-11-12-20-32(31)38-34/h5-24H,1-4H3/b7-5+,8-6+,22-21+,25-13+,26-14+,27-15+,28-16+
InChIKey AFTRKAIMRZOLPR-BNYGOCMFSA-N
Mol Weight 568.9 g/mol
Molecular Formula C34H32S4
Exact Mass 568.138686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAGRc7Sx9MK
Name 2,2'-[2',7',10',15'-Tetramethylhexadexca-2',4',6',8',10',12',14'-heptaene-1',16'-diyl]-bis(1",3"-benzodithiol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32S4
InChI InChI=1S/C34H32S4/c1-25(13-5-7-15-27(3)23-33-35-29-17-9-10-18-30(29)36-33)21-22-26(2)14-6-8-16-28(4)24-34-37-31-19-11-12-20-32(31)38-34/h5-24H,1-4H3/b7-5+,8-6+,22-21+,25-13+,26-14+,27-15+,28-16+
InChIKey AFTRKAIMRZOLPR-BNYGOCMFSA-N
Molecular Weight 568.870 g/mol
SMILES C1(Sc2ccccc2S1)=C\C(=C\C=C\C=C\(\C=C\C(=C\C=C\C=C\(C=C1Sc2ccccc2S1)C)C)C)C
SPLASH splash10-0udi-0900020000-125816b0f734abed9144
Source of Spectrum H-86-2608-17
Wiley ID 1525565