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N-(4-Methoxyphenyl)-3,7-dimethyl-4,8-diphenyl-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID AkOhRExiJxH
InChI InChI=1S/C27H25NOS2/c1-18-24(20-10-6-4-7-11-20)30-27-19(2)25(21-12-8-5-9-13-21)31-26(18)28(27)22-14-16-23(29-3)17-15-22/h4-17,26-27H,1-3H3/t26-,27-/m0/s1
InChIKey WHRQNLUEMBWQEL-SVBPBHIXSA-N
Mol Weight 443.62 g/mol
Molecular Formula C27H25NOS2
Exact Mass 443.137757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWPHYoxj5Dn
Name N-(4-Methoxyphenyl)-3,7-dimethyl-4,8-diphenyl-2,6-Imino-2H,6H-1,5-dithiocine
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Formula C27H25NOS2
InChI InChI=1S/C27H25NOS2/c1-18-24(20-10-6-4-7-11-20)30-27-19(2)25(21-12-8-5-9-13-21)31-26(18)28(27)22-14-16-23(29-3)17-15-22/h4-17,26-27H,1-3H3/t26-,27-/m0/s1
InChIKey WHRQNLUEMBWQEL-SVBPBHIXSA-N
Molecular Weight 443.623 g/mol
SMILES [C@]12(N([C@](C(=C(S2)c2ccccc2)C)(SC(=C1C)c1ccccc1)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-01ox-0080900000-53df533bb3919d8788f8
Source of Spectrum SO-0-789-3
Wiley ID 876700