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N-(4-Nitrophenyl)-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID 1TClABkneRl
InChI InChI=1S/C36H26N2O2S2/c39-38(40)30-23-21-29(22-24-30)37-35-31(25-13-5-1-6-14-25)33(27-17-9-3-10-18-27)41-36(37)32(26-15-7-2-8-16-26)34(42-35)28-19-11-4-12-20-28/h1-24,35-36H/t35-,36-/m0/s1
InChIKey IFHVBOJYJLALCT-ZPGRZCPFSA-N
Mol Weight 582.7 g/mol
Molecular Formula C36H26N2O2S2
Exact Mass 582.14357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i2SaProJs
Name N-(4-Nitrophenyl)-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26N2O2S2
InChI InChI=1S/C36H26N2O2S2/c39-38(40)30-23-21-29(22-24-30)37-35-31(25-13-5-1-6-14-25)33(27-17-9-3-10-18-27)41-36(37)32(26-15-7-2-8-16-26)34(42-35)28-19-11-4-12-20-28/h1-24,35-36H/t35-,36-/m0/s1
InChIKey IFHVBOJYJLALCT-ZPGRZCPFSA-N
Molecular Weight 582.736 g/mol
SMILES [C@]12(N([C@](C(=C(S2)c2ccccc2)c2ccccc2)(SC(=C1c1ccccc1)c1ccccc1)[H])c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-05fr-0980050000-664baaee1e2176923301
Source of Spectrum SO-0-790-3
Wiley ID 876687