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(E/Z)-6,7-Dichloro-3-[4-(trifluoromethyl)benzylidene]indolin-2-one
SpectraBase Compound ID KeboipRxImZ
InChI InChI=1S/C16H8Cl2F3NO/c17-12-6-5-10-11(15(23)22-14(10)13(12)18)7-8-1-3-9(4-2-8)16(19,20)21/h1-7H,(H,22,23)
InChIKey VVVXHARGTONSKR-UHFFFAOYSA-N
Mol Weight 358.15 g/mol
Molecular Formula C16H8Cl2F3NO
Exact Mass 356.993504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 643nMtrDXD8
Name (E/Z)-6,7-Dichloro-3-[4-(trifluoromethyl)benzylidene]indolin-2-one
Appearance Yellow crystals
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Formula C16H8Cl2F3NO
InChI InChI=1S/C16H8Cl2F3NO/c17-12-6-5-10-11(15(23)22-14(10)13(12)18)7-8-1-3-9(4-2-8)16(19,20)21/h1-7H,(H,22,23)
InChIKey VVVXHARGTONSKR-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5989 A-59980 B
Ionization Type EI
Literature Reference DOI 10.1021/jm901055u
Molecular Weight 358.147 g/mol
SMILES N1C(C(c2c1c(c(cc2)Cl)Cl)=Cc1ccc(cc1)C(F)(F)F)=O
SPLASH splash10-0a4i-0019000000-e1d392f6e38eeac1be8b
Sample Comments E/Z = 60:40
Source of Spectrum AF-53-SM12-13
Wiley ID 1846318