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4-Chloro-2-((E)-(4-(dimethylamino)phenyl)diazenyl)-5-((E)-((2,3-dimethylphenyl)imino)methyl)thiophene-3-carbonitrile
SpectraBase Compound ID 1FK2AThJEcb
InChI InChI=1S/C22H20ClN5S/c1-14-6-5-7-19(15(14)2)25-13-20-21(23)18(12-24)22(29-20)27-26-16-8-10-17(11-9-16)28(3)4/h5-11,13H,1-4H3/b25-13+,27-26+
InChIKey RXXJPCSWEDXZRP-ZGQMNJRFSA-N
Mol Weight 421.95 g/mol
Molecular Formula C22H20ClN5S
Exact Mass 421.112795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVuyCLInVlD
Name (4-Chloro-2-((E)-(4- (dimethylamino)phenyl)diazenyl)-5-((E)-((2,3-dimethylphenyl) imino)methyl)thiophene-3-carbonitrile)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.112794538 u
Formula C22H20ClN5S
InChI InChI=1S/C22H20ClN5S/c1-14-6-5-7-19(15(14)2)25-13-20-21(23)18(12-24)22(29-20)27-26-16-8-10-17(11-9-16)28(3)4/h5-11,13H,1-4H3/b25-13+,27-26+
InChIKey RXXJPCSWEDXZRP-ZGQMNJRFSA-N
Molecular Weight 421.950 g/mol
SMILES C1(=C(C(=C(S1)\C=N\C=1C(=C(C=CC1)C)C)Cl)C#N)\N=N\C=1C=CC(=CC1)N(C)C