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Methanone, [3-amino-5-[(2,4-dimethylphenyl)amino]-4-[(4-methylphenyl)sulfonyl]-2-thienyl]phenyl-
SpectraBase Compound ID GzRifuGwITF
InChI InChI=1S/C26H24N2O3S2/c1-16-9-12-20(13-10-16)33(30,31)25-22(27)24(23(29)19-7-5-4-6-8-19)32-26(25)28-21-14-11-17(2)15-18(21)3/h4-15,28H,27H2,1-3H3
InChIKey QMBWVWOIXNSLSC-UHFFFAOYSA-N
Mol Weight 476.61 g/mol
Molecular Formula C26H24N2O3S2
Exact Mass 476.122835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZfXvZt31rE
Name Methanone, [3-amino-5-[(2,4-dimethylphenyl)amino]-4-[(4-methylphenyl)sulfonyl]-2-thienyl]phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 476.122834986 u
Formula C26H24N2O3S2
InChI InChI=1S/C26H24N2O3S2/c1-16-9-12-20(13-10-16)33(30,31)25-22(27)24(23(29)19-7-5-4-6-8-19)32-26(25)28-21-14-11-17(2)15-18(21)3/h4-15,28H,27H2,1-3H3
InChIKey QMBWVWOIXNSLSC-UHFFFAOYSA-N
Molecular Weight 476.609 g/mol
SMILES C=1(C(=C(C(=O)C2=CC=CC=C2)SC1NC=1C(=CC(=CC1)C)C)N)S(C=1C=CC(=CC1)C)(=O)=O