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Ethyl (E)-3-(3-chloro-4-cyano-5-((E)-(4-(dimethylamino)phenyl)diazenyl)thiophen-2-yl)-2-cyanoacrylate
SpectraBase Compound ID BbHqxo1Y6Lf
InChI InChI=1S/C19H16ClN5O2S/c1-4-27-19(26)12(10-21)9-16-17(20)15(11-22)18(28-16)24-23-13-5-7-14(8-6-13)25(2)3/h5-9H,4H2,1-3H3/b12-9+,24-23+
InChIKey LNCRFKKXYQILFE-URLJGFAMSA-N
Mol Weight 413.88 g/mol
Molecular Formula C19H16ClN5O2S
Exact Mass 413.071324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BksPb9pxPpF
Name Ethyl (E)-3-(3-chloro-4-cyano-5-((E)-(4-(dimethylamino)phenyl)diazenyl)thiophen-2-yl)-2-cyanoacrylate
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Formula C19H16ClN5O2S
InChI InChI=1S/C19H16ClN5O2S/c1-4-27-19(26)12(10-21)9-16-17(20)15(11-22)18(28-16)24-23-13-5-7-14(8-6-13)25(2)3/h5-9H,4H2,1-3H3/b12-9+,24-23+
InChIKey LNCRFKKXYQILFE-URLJGFAMSA-N
Molecular Weight 413.883 g/mol
SMILES C(\C(=C\c1c(c(c(s1)\N=N\c1ccc(cc1)N(C)C)C#N)Cl)C#N)(=O)OCC
SPLASH splash10-00di-4902200000-ed1bfe86ccb37b2836bf
Source of Spectrum Dan Xu, et al. Dyes and Pigments, V.133, 2016, P.143-152
Wiley ID 1816509