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2-Propenoic acid, 2-[[(4-chlorophenyl)methylene]amino]-3-phenyl-, ethyl ester
SpectraBase Compound ID 5YpOdAph5EA
InChI InChI=1S/C18H16ClNO2/c1-2-22-18(21)17(12-14-6-4-3-5-7-14)20-13-15-8-10-16(19)11-9-15/h3-13H,2H2,1H3/b17-12+,20-13+
InChIKey QSHWSLUZRQKBIZ-BHYNAFRYSA-N
Mol Weight 313.78 g/mol
Molecular Formula C18H16ClNO2
Exact Mass 313.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQiKb9k77ij
Name 2-Propenoic acid, 2-[[(4-chlorophenyl)methylene]amino]-3-phenyl-, ethyl ester
Alternate Name(s) 1-(p-chorophenyl)-3-ethoxycarbonyl-4-phenyl-2-azabuta-1,3-diene ethyl (2E)-2-{[(E)-(4-chlorophenyl)methylidene]amino}-3-phenyl-2-propenoate
CAS Registry Number 120413-59-4
Comments Less than 3 mono-isotopic peaks
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Formula C18H16ClNO2
InChI InChI=1S/C18H16ClNO2/c1-2-22-18(21)17(12-14-6-4-3-5-7-14)20-13-15-8-10-16(19)11-9-15/h3-13H,2H2,1H3/b17-12+,20-13+
InChIKey QSHWSLUZRQKBIZ-BHYNAFRYSA-N
Molecular Weight 313.784 g/mol
SMILES c1(\C=N\C(C(=O)OCC)=C/c2ccccc2)ccc(cc1)Cl
SPLASH splash10-004i-0091000000-7d23ce7ec9ae28fc5c2f
Source of Spectrum KC-1990-2195-3
Wiley ID 1314275