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2,7-Dibutyl-1,6-bis(4-methoxyphenyl)naphtho[1,2-b;5,6-b']-dithiophene
SpectraBase Compound ID LPoTh9AvobH
InChI InChI=1S/C36H36O2S2/c1-5-7-9-31-33(23-11-15-25(37-3)16-12-23)29-21-19-28-27(35(29)39-31)20-22-30-34(24-13-17-26(38-4)18-14-24)32(10-8-6-2)40-36(28)30/h11-22H,5-10H2,1-4H3
InChIKey OPVPPJFKYZRTEX-UHFFFAOYSA-N
Mol Weight 564.8 g/mol
Molecular Formula C36H36O2S2
Exact Mass 564.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WamDw4SGdo
Name 2,7-Dibutyl-1,6-bis(4-methoxyphenyl)naphtho[1,2-b;5,6-b']-dithiophene
Appearance White solid
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Exact Mass 564.215672745 u
Formula C36H36O2S2
InChI InChI=1S/C36H36O2S2/c1-5-7-9-31-33(23-11-15-25(37-3)16-12-23)29-21-19-28-27(35(29)39-31)20-22-30-34(24-13-17-26(38-4)18-14-24)32(10-8-6-2)40-36(28)30/h11-22H,5-10H2,1-4H3
InChIKey OPVPPJFKYZRTEX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400205j
Molecular Weight 564.802 g/mol
SMILES C1=CC2=C(C3=C1C(=C(S3)CCCC)C1=CC=C(C=C1)OC)C=CC1=C2SC(=C1C1=CC=C(C=C1)OC)CCCC
SPLASH splash10-03di-0000190000-df2c91cd052adf4e2271
Source of Spectrum JOC-78-3501-18 (DOI: 10.1021/jo400205j)
Wiley ID 1912507