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2-Chloro-4-nitro-6-[(3E)-4-phenylbut-3-en-1-ynyl]aniline
SpectraBase Compound ID JuCmKlogCYP
InChI InChI=1S/C16H11ClN2O2/c17-15-11-14(19(20)21)10-13(16(15)18)9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,10-11H,18H2/b8-4+
InChIKey TXJBNTLIOCHWJT-XBXARRHUSA-N
Mol Weight 298.73 g/mol
Molecular Formula C16H11ClN2O2
Exact Mass 298.050905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21z3WpMgoik
Name 2-Chloro-4-nitro-6-[(3E)-4-phenylbut-3-en-1-ynyl]aniline
Comments Less than 3 mono-isotopic peaks
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Formula C16H11ClN2O2
InChI InChI=1S/C16H11ClN2O2/c17-15-11-14(19(20)21)10-13(16(15)18)9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,10-11H,18H2/b8-4+
InChIKey TXJBNTLIOCHWJT-XBXARRHUSA-N
Molecular Weight 298.729 g/mol
SMILES Nc1c(cc(N(=O)=O)cc1Cl)C#C\C=C\c1ccccc1
SPLASH splash10-0udj-0091000000-4d8b2e225ef59383d092
Source of Spectrum C5-2004-615-1
Synonyms 2-chloro-4-nitro-6-[(3E)-4-phenyl-3-buten-1-ynyl]aniline 2-chloro-4-nitro-6-[(3E)-4-phenyl-3-buten-1-ynyl]phenylamine 2-chloro-4-nitro-6-[(E)-4-phenylbut-3-en-1-ynyl]aniline 2-chloranyl-4-nitro-6-[(E)-4-phenylbut-3-en-1-ynyl]aniline
Wiley ID 1616736