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Benzene, 1,1'-[(1-butyltridecylidene)bis(thio)]bis-
SpectraBase Compound ID 5wDXO44rnDo
InChI InChI=1S/C29H44S2/c1-3-5-7-8-9-10-11-12-13-20-26-29(25-6-4-2,30-27-21-16-14-17-22-27)31-28-23-18-15-19-24-28/h14-19,21-24H,3-13,20,25-26H2,1-2H3
InChIKey WSBOSCLBPQDLLA-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C29H44S2
Exact Mass 456.288444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s9V29yeLey
Name Benzene, 1,1'-[(1-butyltridecylidene)bis(thio)]bis-
Comments Computed using HOSE algorithm
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Exact Mass 456.288443765 u
Formula C29H44S2
InChI InChI=1S/C29H44S2/c1-3-5-7-8-9-10-11-12-13-20-26-29(25-6-4-2,30-27-21-16-14-17-22-27)31-28-23-18-15-19-24-28/h14-19,21-24H,3-13,20,25-26H2,1-2H3
InChIKey WSBOSCLBPQDLLA-UHFFFAOYSA-N
Molecular Weight 456.791 g/mol
SMILES C(SC=1C=CC=CC1)(SC=1C=CC=CC1)(CCCC)CCCCCCCCCCCC