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9,10-Bis(4-aminophenylthiamethyl)anthracene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

9,10-Bis(4-aminophenylthiamethyl)anthracene
SpectraBase Compound ID 7YpXmbn35rw
InChI InChI=1S/C28H24N2S2/c29-19-9-13-21(14-10-19)31-17-27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)18-32-22-15-11-20(30)12-16-22/h1-16H,17-18,29-30H2
InChIKey AWVAATOQNKVMBY-UHFFFAOYSA-N
Mol Weight 452.63 g/mol
Molecular Formula C28H24N2S2
Exact Mass 452.138091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h94UfYESxD
Name 9,10-bis(4-Aminophenylthiamethyl)anthracene
Comments Computed using HOSE algorithm
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Exact Mass 452.138091129 u
Formula C28H24N2S2
InChI InChI=1S/C28H24N2S2/c29-19-9-13-21(14-10-19)31-17-27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)18-32-22-15-11-20(30)12-16-22/h1-16H,17-18,29-30H2
InChIKey AWVAATOQNKVMBY-UHFFFAOYSA-N
Molecular Weight 452.634 g/mol
SMILES C1(=C2C(C=CC=C2)=C(C=2C1=CC=CC2)CSC=1C=CC(=CC1)N)CSC1=CC=C(C=C1)N