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6-iodo-3-(oxiran-2-yl)methyl-2-(phenylamino)quinazolin-4(3H)-one
SpectraBase Compound ID CdUwmY97ZBp
InChI InChI=1S/C17H14IN3O2/c18-11-6-7-15-14(8-11)16(22)21(9-13-10-23-13)17(20-15)19-12-4-2-1-3-5-12/h1-8,13H,9-10H2,(H,19,20)
InChIKey KHIUNSIBKZLIJN-UHFFFAOYSA-N
Mol Weight 419.22 g/mol
Molecular Formula C17H14IN3O2
Exact Mass 419.013072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cNQUO883yw
Name 6-iodo-3-(oxiran-2-yl)methyl-2-(phenylamino)quinazolin-4(3H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14IN3O2
InChI InChI=1S/C17H14IN3O2/c18-11-6-7-15-14(8-11)16(22)21(9-13-10-23-13)17(20-15)19-12-4-2-1-3-5-12/h1-8,13H,9-10H2,(H,19,20)
InChIKey KHIUNSIBKZLIJN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2953
Molecular Weight 419.222 g/mol
SMILES N(C1=Nc2c(cc(I)cc2)C(N1CC1OC1)=O)c1ccccc1
SPLASH splash10-0gwe-3639200000-40900e5c0ad48cfcb398
Source of Spectrum Y-54-3340-24
Wiley ID 1878675