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2-[2-(4-chlorophenyl)sulfanylethyl]isoindole-1,3-dione
SpectraBase Compound ID 9tA686hQh7R
InChI InChI=1S/C16H12ClNO2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2
InChIKey WQFZHSRNWSTGMY-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C16H12ClNO2S
Exact Mass 317.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqxBQsUG6RV
Name 2-[2-(4-chlorophenyl)sulfanylethyl]isoindole-1,3-dione
Alternate Name(s) 2-[2-(4-chlorophenyl)sulfanylethyl]isoindoline-1,3-dione 2-[2-[(4-chlorophenyl)thio]ethyl]isoindole-1,3-dione 2-[2-[(4-chlorophenyl)thio]ethyl]isoindoline-1,3-quinone 2-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
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Formula C16H12ClNO2S
InChI InChI=1S/C16H12ClNO2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2
InChIKey WQFZHSRNWSTGMY-UHFFFAOYSA-N
Molecular Weight 317.790 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCSc1ccc(cc1)Cl)=O
SPLASH splash10-00di-3901000000-7c4eb79c3ba9fb6c2205
Source of Spectrum GT-1992-15-0
Wiley ID 1317585