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N-(2-Aminophenylcarbamothioyl)-2-(1,3-dioxoisoindolin-2-yl)benzamide
SpectraBase Compound ID C26Dh4GisnC
InChI InChI=1S/C22H16N4O3S/c23-16-10-4-5-11-17(16)24-22(30)25-19(27)15-9-3-6-12-18(15)26-20(28)13-7-1-2-8-14(13)21(26)29/h1-12H,23H2,(H2,24,25,27,30)
InChIKey ICLNCNVZUBOWSK-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C22H16N4O3S
Exact Mass 416.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYKPCANbxPv
Name N-(2-Aminophenylcarbamothioyl)-2-(1,3-dioxoisoindolin-2-yl)benzamide
Appearance Yellow crystals
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Formula C22H16N4O3S
InChI InChI=1S/C22H16N4O3S/c23-16-10-4-5-11-17(16)24-22(30)25-19(27)15-9-3-6-12-18(15)26-20(28)13-7-1-2-8-14(13)21(26)29/h1-12H,23H2,(H2,24,25,27,30)
InChIKey ICLNCNVZUBOWSK-UHFFFAOYSA-N
Instrument Name Kratos Model MS 25 (Magnetic Sector) or HP Model MS-5988
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2287
Molecular Weight 416.455 g/mol
SMILES N(C(c1c(N2C(c3c(cccc3)C2=O)=O)cccc1)=O)C(Nc1ccccc1N)=S
SPLASH splash10-0w29-1950000000-4f97a3d23124fce2600d
Source of Spectrum Y-53-490-5a
Wiley ID 1877620