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4,7-Diphenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-5-one isomer
SpectraBase Compound ID Jpxxz41A7ZF
InChI InChI=1S/C20H18N2OS/c23-17-12-15(13-7-3-1-4-8-13)11-16-18(17)19(22-20(24)21-16)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,21,22,24)
InChIKey WHOZWPUBEFQKOV-UHFFFAOYSA-N
Mol Weight 334.44 g/mol
Molecular Formula C20H18N2OS
Exact Mass 334.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jvrz8pGNHvZ
Name 4,7-Diphenyl-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinazoline-5-one isomer
Comments Less than 3 mono-isotopic peaks
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Formula C20H18N2OS
InChI InChI=1S/C20H18N2OS/c23-17-12-15(13-7-3-1-4-8-13)11-16-18(17)19(22-20(24)21-16)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,21,22,24)
InChIKey WHOZWPUBEFQKOV-UHFFFAOYSA-N
Molecular Weight 334.437 g/mol
SMILES N1C(NC(C2=C1CC(CC2=O)c1ccccc1)c1ccccc1)=S
SPLASH splash10-001i-0009000000-2a886b3781bb7942936d
Source of Spectrum Y-48-315-4f
Wiley ID 1667828