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(E)-1-Acetyl-3-(3-(4-chlorophenyl)-1-phenylprop-2-yn-1-ylidene)indolin-2-one
SpectraBase Compound ID BdtiY7Kaj61
InChI InChI=1S/C25H16ClNO2/c1-17(28)27-23-10-6-5-9-22(23)24(25(27)29)21(19-7-3-2-4-8-19)16-13-18-11-14-20(26)15-12-18/h2-12,14-15H,1H3/b24-21-
InChIKey NCMRZNYYNWURQT-FLFQWRMESA-N
Mol Weight 397.86 g/mol
Molecular Formula C25H16ClNO2
Exact Mass 397.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eyMNJWCjQ
Name (E)-1-Acetyl-3-(3-(4-chlorophenyl)-1-phenylprop-2-yn-1-ylidene)indolin-2-one
Appearance Orange solid
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Exact Mass 397.086956457 u
Formula C25H16ClNO2
InChI InChI=1S/C25H16ClNO2/c1-17(28)27-23-10-6-5-9-22(23)24(25(27)29)21(19-7-3-2-4-8-19)16-13-18-11-14-20(26)15-12-18/h2-12,14-15H,1H3/b24-21-
InChIKey NCMRZNYYNWURQT-FLFQWRMESA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802237
Molecular Weight 397.861 g/mol
Reported Formula C25H16ClNO2
SMILES C1(N(C=2C=CC=CC2\C1=C\(C#CC=1C=CC(=CC1)Cl)C=1C=CC=CC1)C(=O)C)=O
SPLASH splash10-0a4j-0009000000-71ce3749f3480002de00
Source of Spectrum QE-24-SM7-5c (DOI: 10.1002/chem.201802237)
Wiley ID 1901706