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8-(4'-Fluorophenyl)-7-cyano-3-styryl-pyrimido[3,2-c][1,2,4] triazin-4,6-diones
SpectraBase Compound ID 1ULdfqnGf3q
InChI InChI=1S/C21H11ClFN5O2/c22-14-6-1-12(2-7-14)3-10-17-20(30)28-19(29)16(11-24)18(25-21(28)27-26-17)13-4-8-15(23)9-5-13/h1-10H,(H,25,27)/b10-3+
InChIKey FMFLYXKSCSVNEF-XCVCLJGOSA-N
Mol Weight 419.8 g/mol
Molecular Formula C21H11ClFN5O2
Exact Mass 419.05853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La4GmeU88GR
Name 8-(4'-Fluorophenyl)-7-cyano-3-styryl-pyrimido[3,2-c][1,2,4] triazin-4,6-diones
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11ClFN5O2
InChI InChI=1S/C21H11ClFN5O2/c22-14-6-1-12(2-7-14)3-10-17-20(30)28-19(29)16(11-24)18(25-21(28)27-26-17)13-4-8-15(23)9-5-13/h1-10H,(H,25,27)/b10-3+
InChIKey FMFLYXKSCSVNEF-XCVCLJGOSA-N
Instrument Name Shimadzu GCMS-Q 1000-Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2386
Molecular Weight 419.803 g/mol
SMILES N1N=C(C(N2C(C(=C(N=C12)c1ccc(cc1)F)C#N)=O)=O)\C=C\c1ccc(cc1)Cl
SPLASH splash10-01ot-7911000000-dad86e677d4975422a0f
Source of Spectrum Y-53-1315-6a
Wiley ID 1876513