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2-(4-chlorophenyl)-3H-isoindol-1-one
SpectraBase Compound ID 1r3TrRVvl4C
InChI InChI=1S/C14H10ClNO/c15-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2
InChIKey ATKYZOJYPKMFHI-UHFFFAOYSA-N
Mol Weight 243.69 g/mol
Molecular Formula C14H10ClNO
Exact Mass 243.045092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n1XcpvrIYw
Name 2-(4-chlorophenyl)-3H-isoindol-1-one
Alternate Name(s) 2-(4-chlorophenyl)isoindolin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H10ClNO
InChI InChI=1S/C14H10ClNO/c15-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2
InChIKey ATKYZOJYPKMFHI-UHFFFAOYSA-N
Molecular Weight 243.693 g/mol
SMILES C1(N(Cc2ccccc12)c1ccc(cc1)Cl)=O
SPLASH splash10-00kf-0090000000-7fc77a4605bd49694660
Source of Spectrum QB-16-1066-3
Wiley ID 841544