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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSXZl4YEKDZ
Name (4-chloro-2-((E)-(4- (dimethylamino)phenyl)diazenyl)-5-((E)-((2,3-dimethylphenyl) imino)methyl)thiophene-3-carbonitrile)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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\c1c(c(ccc1)C)C)Cl)C#N)\N=N\c1ccc(cc1)N(C)C
SPLASH splash10-00di-2910300000-5c29185aa5d2f6bba207
Source of Spectrum Dan Xu, et al. Dyes and Pigments, V.133, 2016, P.143-152
Synonyms 4-Chloro-2-((E)-(4-(dimethylamino)phenyl)diazenyl)-5-((E)-((2,3-dimethylphenyl)imino)methyl)thiophene-3-carbonitrile
Wiley ID 1816505