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(methyl (E)-3-(3-chloro-4-cyano- 5-((E)-(4-(dimethylamino)phenyl)diazenyl)thiophen-2-yl)-2- cyanoacrylate)
SpectraBase Compound ID 25y96fYUKzh
InChI InChI=1S/C18H14ClN5O2S/c1-24(2)13-6-4-12(5-7-13)22-23-17-14(10-21)16(19)15(27-17)8-11(9-20)18(25)26-3/h4-8H,1-3H3/b11-8+,23-22+
InChIKey PAJKUPRLTIMYSF-JLFKUYAUSA-N
Mol Weight 399.86 g/mol
Molecular Formula C18H14ClN5O2S
Exact Mass 399.055674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8NbRxZB4Sx
Name (methyl (E)-3-(3-chloro-4-cyano- 5-((E)-(4-(dimethylamino)phenyl)diazenyl)thiophen-2-yl)-2- cyanoacrylate)
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Formula C18H14ClN5O2S
InChI InChI=1S/C18H14ClN5O2S/c1-24(2)13-6-4-12(5-7-13)22-23-17-14(10-21)16(19)15(27-17)8-11(9-20)18(25)26-3/h4-8H,1-3H3/b11-8+,23-22+
InChIKey PAJKUPRLTIMYSF-JLFKUYAUSA-N
Molecular Weight 399.856 g/mol
SMILES C(\C(=C\c1c(c(c(s1)\N=N\c1ccc(cc1)N(C)C)C#N)Cl)C#N)(=O)OC
SPLASH splash10-0fk9-3902200000-d3938dab108fb3cae434
Source of Spectrum Dan Xu, et al. Dyes and Pigments, V.133, 2016, P.143-152
Synonyms Methyl (E)-3-(3-chloro-4-cyano-5-((E)-(4-(dimethylamino)phenyl)diazenyl)thiophen-2-yl)-2-cyanoacrylate
Wiley ID 1816508