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8-(4'-Fluorophenyl)-7-cyano-3-methyl-pyrimido[3,2-c][1,2,4]triazin-4,6-dione
SpectraBase Compound ID JamVDO3Lk9m
InChI InChI=1S/C14H8FN5O2/c1-7-12(21)20-13(22)10(6-16)11(17-14(20)19-18-7)8-2-4-9(15)5-3-8/h2-5H,1H3,(H,17,19)
InChIKey DDOQDDRALWFCKM-UHFFFAOYSA-N
Mol Weight 297.25 g/mol
Molecular Formula C14H8FN5O2
Exact Mass 297.066203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1NWLCxk8rP
Name 8-(4'-Fluorophenyl)-7-cyano-3-methyl-pyrimido[3,2-c][1,2,4]triazin-4,6-dione
Appearance Yellowish crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8FN5O2
InChI InChI=1S/C14H8FN5O2/c1-7-12(21)20-13(22)10(6-16)11(17-14(20)19-18-7)8-2-4-9(15)5-3-8/h2-5H,1H3,(H,17,19)
InChIKey DDOQDDRALWFCKM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q 1000-Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2386
Molecular Weight 297.249 g/mol
SMILES N1N=C(C(N2C(C(=C(N=C12)c1ccc(cc1)F)C#N)=O)=O)C
SPLASH splash10-0005-9140000000-abdea303e41851c10450
Source of Spectrum Y-53-1315-3
Wiley ID 1876512