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(E)-1,1,1-Trichloro-4-(phenyl-N-1-propyn-3-ylamino)-pent-3-en-2-one
SpectraBase Compound ID 3zdWAZDOQ3w
InChI InChI=1S/C14H12Cl3NO/c1-3-9-18(12-7-5-4-6-8-12)11(2)10-13(19)14(15,16)17/h1,4-8,10H,9H2,2H3/b11-10+
InChIKey ALQGHZJMOVLPGG-ZHACJKMWSA-N
Mol Weight 316.62 g/mol
Molecular Formula C14H12Cl3NO
Exact Mass 314.998447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnL422c7uXZ
Name (E)-1,1,1-Trichloro-4-(phenyl-N-1-propyn-3-ylamino)-pent-3-en-2-one
Appearance Oil
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Formula C14H12Cl3NO
InChI InChI=1S/C14H12Cl3NO/c1-3-9-18(12-7-5-4-6-8-12)11(2)10-13(19)14(15,16)17/h1,4-8,10H,9H2,2H3/b11-10+
InChIKey ALQGHZJMOVLPGG-ZHACJKMWSA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 316.615 g/mol
SMILES C(C(\C=C/(C)N(c1ccccc1)CC#C)=O)(Cl)(Cl)Cl
SPLASH splash10-0002-0900000000-1980d8c1d22d1ca1c2d7
Source of Spectrum ARK-2010-SM7-8a
Wiley ID 1869996