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6-Iodo-3-((5-mercapto-1,3,4-oxadiazol-2-yl)methoxy)-2-phenylquinazolin-4(3H)-one
SpectraBase Compound ID 1fE67uGcRo
InChI InChI=1S/C17H11IN4O3S/c18-11-6-7-13-12(8-11)16(23)22(24-9-14-20-21-17(26)25-14)15(19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)
InChIKey LSWQCJWYOLUPKJ-UHFFFAOYSA-N
Mol Weight 478.26 g/mol
Molecular Formula C17H11IN4O3S
Exact Mass 477.959656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vsRlcBW0HS
Name 6-Iodo-3-((5-mercapto-1,3,4-oxadiazol-2-yl)methoxy)-2-phenylquinazolin-4(3H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11IN4O3S
InChI InChI=1S/C17H11IN4O3S/c18-11-6-7-13-12(8-11)16(23)22(24-9-14-20-21-17(26)25-14)15(19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,26)
InChIKey LSWQCJWYOLUPKJ-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4096
Molecular Weight 478.264 g/mol
SMILES Sc1oc(CON2C(=Nc3c(cc(I)cc3)C2=O)c2ccccc2)nn1
SPLASH splash10-0002-0009000000-9664ef26ac6b441348ec
Source of Spectrum Y-57-3904-15
Wiley ID 1859875