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2,9-Dibutyl-3,8-bis(4-methoxyphenyl)naphtho[1,2-b;8,7-b']-dithiophene
SpectraBase Compound ID 3i8LSMi7fwM
InChI InChI=1S/C36H36O2S2/c1-5-7-9-30-32(23-11-17-26(37-3)18-12-23)28-21-15-25-16-22-29-33(24-13-19-27(38-4)20-14-24)31(10-8-6-2)40-36(29)34(25)35(28)39-30/h11-22H,5-10H2,1-4H3
InChIKey FOBJIFOMIUMEEC-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 cWIa1cMQVJ
Name 2,9-Dibutyl-3,8-bis(4-methoxyphenyl)naphtho[1,2-b;8,7-b']-dithiophene
Appearance White solid
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Exact Mass 564.215672745 u
Formula C36H36O2S2
InChI InChI=1S/C36H36O2S2/c1-5-7-9-30-32(23-11-17-26(37-3)18-12-23)28-21-15-25-16-22-29-33(24-13-19-27(38-4)20-14-24)31(10-8-6-2)40-36(29)34(25)35(28)39-30/h11-22H,5-10H2,1-4H3
InChIKey FOBJIFOMIUMEEC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400205j
Molecular Weight 564.802 g/mol
SMILES C12=C(C3=C(C=C2)C=CC2=C3SC(=C2C2=CC=C(C=C2)OC)CCCC)SC(=C1C1=CC=C(C=C1)OC)CCCC
SPLASH splash10-03di-0000190000-db681100352f8ccf7c43
Source of Spectrum JOC-78-3500-17 (DOI: 10.1021/jo400205j)
Wiley ID 1912506