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N,N'-Bis(2,2-bithiophenyl-5-ylmethylene)cyclohexane-1,2-diamine

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N,N'-Bis(2,2-bithiophenyl-5-ylmethylene)cyclohexane-1,2-diamine
SpectraBase Compound ID 9MbifEalNak
InChI InChI=1S/C24H22N2S4/c1-2-6-20(26-16-18-10-12-24(30-18)22-8-4-14-28-22)19(5-1)25-15-17-9-11-23(29-17)21-7-3-13-27-21/h3-4,7-16,19-20H,1-2,5-6H2/b25-15+,26-16+
InChIKey DBCGQZKTZRJKHP-RYQLWAFASA-N
Mol Weight 466.7 g/mol
Molecular Formula C24H22N2S4
Exact Mass 466.066583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XEQZpv4PgQ
Name N,N'-bis(2,2-Bithiophenyl-5-ylmethylene)cyclohexane-1,2-diamine
Comments Computed using HOSE algorithm
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Exact Mass 466.066583412 u
Formula C24H22N2S4
InChI InChI=1S/C24H22N2S4/c1-2-6-20(26-16-18-10-12-24(30-18)22-8-4-14-28-22)19(5-1)25-15-17-9-11-23(29-17)21-7-3-13-27-21/h3-4,7-16,19-20H,1-2,5-6H2/b25-15+,26-16+
InChIKey DBCGQZKTZRJKHP-RYQLWAFASA-N
Molecular Weight 466.694 g/mol
SMILES C=1(SC(\C=N\C2C(\N=C\C=3SC(C=4SC=CC4)=CC3)CCCC2)=CC1)C=1SC=CC1