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IZOCGGCEGPMGNE-UHFFFAOYSA-N
SpectraBase Compound ID ECSuKvdHWqv
InChI InChI=1S/C17H11NO3S.C5H11N/c19-14(11-7-3-1-4-8-11)13-15(20)16(21)18(17(13)22)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1-10,20H;6H,1-5H2
InChIKey IZOCGGCEGPMGNE-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C22H22N2O3S
Exact Mass 394.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYPcAU71dbS
Name salt of 1-phenyl-3-benzoyl-4-hydroxy-pyrroline-(2-thio)-5-one and piperidine
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Formula C22H22N2O3S
InChI InChI=1S/C17H11NO3S.C5H11N/c19-14(11-7-3-1-4-8-11)13-15(20)16(21)18(17(13)22)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1-10,20H;6H,1-5H2
InChIKey IZOCGGCEGPMGNE-UHFFFAOYSA-N
Molecular Weight 394.489 g/mol
SMILES N1CCCCC1.OC=1C(=O)N(C(C1C(=O)c1ccccc1)=S)c1ccccc1
SPLASH splash10-0a4i-4549000000-a6fe460fdef8dc4d293d
Source of Spectrum AH-117-676-2
Synonyms 4-Benzoyl-3-hydroxy-1-phenyl-5-thioxo-1,5-dihydro-2H-pyrrol-2-one compound with piperidine (1:1)
Wiley ID 1366635