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3-(1,3-Bis(4-chlorophenyl)prop-2-yn-1-ylidene)-1-(methylsulfonyl)indolin-2-one
SpectraBase Compound ID 2mstZlYzuWx
InChI InChI=1S/C24H15Cl2NO3S/c1-31(29,30)27-22-5-3-2-4-21(22)23(24(27)28)20(17-9-13-19(26)14-10-17)15-8-16-6-11-18(25)12-7-16/h2-7,9-14H,1H3
InChIKey ZZMYMWGZZUKLGO-UHFFFAOYSA-N
Mol Weight 468.35 g/mol
Molecular Formula C24H15Cl2NO3S
Exact Mass 467.01497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36iMpRKDNeO
Name 3-(1,3-Bis(4-chlorophenyl)prop-2-yn-1-ylidene)-1-(methylsulfonyl)indolin-2-one
Appearance Yellow solid
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Formula C24H15Cl2NO3S
InChI InChI=1S/C24H15Cl2NO3S/c1-31(29,30)27-22-5-3-2-4-21(22)23(24(27)28)20(17-9-13-19(26)14-10-17)15-8-16-6-11-18(25)12-7-16/h2-7,9-14H,1H3
InChIKey ZZMYMWGZZUKLGO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802237
Molecular Weight 468.354 g/mol
Reported Formula C24H15(35)Cl2NO3S
SMILES C1(Cl)=CC=C(C=C1)C(C#CC1=CC=C(Cl)C=C1)=C1C(N(C2=C1C=CC=C2)S(C)(=O)=O)=O
SPLASH splash10-0uxr-0008900000-224de6f14a1cae701c35
Sample Comments E/Z = 50:50
Source of Spectrum QE-24-SM8-5f (DOI: 10.1002/chem.201802237)
Wiley ID 1901709