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2-oxo-6-phenyl-5-(4-trifluoromethylphenylazo)-1,2-dihydropyridine-3-carbothioic acid amide
SpectraBase Compound ID 69TFLHoLLTl
InChI InChI=1S/C19H13F3N4OS/c20-19(21,22)12-6-8-13(9-7-12)25-26-15-10-14(17(23)28)18(27)24-16(15)11-4-2-1-3-5-11/h1-10H,(H2,23,28)(H,24,27)
InChIKey VJUPFVGAPJCOEB-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C19H13F3N4OS
Exact Mass 402.076217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzY1PQrjpqt
Name 2-oxo-6-phenyl-5-(4-trifluoromethylphenylazo)-1,2-dihydropyridine-3-carbothioic acid amide
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.076216717 u
Formula C19H13F3N4OS
InChI InChI=1S/C19H13F3N4OS/c20-19(21,22)12-6-8-13(9-7-12)25-26-15-10-14(17(23)28)18(27)24-16(15)11-4-2-1-3-5-11/h1-10H,(H2,23,28)(H,24,27)
InChIKey VJUPFVGAPJCOEB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2023.101647
Molecular Weight 402.395 g/mol
Quality 912
SMILES N1C(=C(C=C(C(=S)N)C1=O)N=NC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
SPLASH splash10-0006-6901000000-a4defb31dc3386fcb0ec
Source of Spectrum SCS-27-SM5-3c (DOI: 10.1016/j.jscs.2023.101647)
Wiley ID 1911753