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1-(2-(6-Iodo-4-oxo-2-phenylquinazolin-3(4H)-yloxy)acetyl)-4-phenylthiosemicarbazide
SpectraBase Compound ID F5NQhJYCI2o
InChI InChI=1S/C23H18IN5O3S/c24-16-11-12-19-18(13-16)22(31)29(21(26-19)15-7-3-1-4-8-15)32-14-20(30)27-28-23(33)25-17-9-5-2-6-10-17/h1-13H,14H2,(H,27,30)(H2,25,28,33)
InChIKey LKSQAVUCKHOASN-UHFFFAOYSA-N
Mol Weight 571.39 g/mol
Molecular Formula C23H18IN5O3S
Exact Mass 571.017506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dNVdwAnVBv
Name 1-(2-(6-Iodo-4-oxo-2-phenylquinazolin-3(4H)-yloxy)acetyl)-4-phenylthiosemicarbazide
Appearance Orange crystals
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Formula C23H18IN5O3S
InChI InChI=1S/C23H18IN5O3S/c24-16-11-12-19-18(13-16)22(31)29(21(26-19)15-7-3-1-4-8-15)32-14-20(30)27-28-23(33)25-17-9-5-2-6-10-17/h1-13H,14H2,(H,27,30)(H2,25,28,33)
InChIKey LKSQAVUCKHOASN-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4096
Molecular Weight 571.393 g/mol
SMILES N(C(CON1C(=Nc2ccc(cc2C1=O)I)c1ccccc1)=O)NC(=S)Nc1ccccc1
SPLASH splash10-004i-0900000000-7cfa8c4f775e2108d359
Source of Spectrum Y-57-3903-9
Wiley ID 1859885