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2,2,2-Trifluoro-N-[4-(1-{[4-methyl-5-(3-nitro-phenylazo)-thiazol-2-yl]-hydrazono}-ethyl)-phenyl]-acetamide
SpectraBase Compound ID 1yBSQWQJ2ti
InChI InChI=1S/C20H16F3N7O3S/c1-11(13-6-8-14(9-7-13)25-18(31)20(21,22)23)26-29-19-24-12(2)17(34-19)28-27-15-4-3-5-16(10-15)30(32)33/h3-10H,1-2H3,(H,24,29)(H,25,31)
InChIKey ASFWPPXJKWCGPI-UHFFFAOYSA-N
Mol Weight 491.45 g/mol
Molecular Formula C20H16F3N7O3S
Exact Mass 491.098743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4ngqb5N2qJ
Name 2,2,2-Trifluoro-N-[4-(1-{[4-methyl-5-(3-nitro-phenylazo)-thiazol-2-yl]-hydrazono}-ethyl)-phenyl]-acetamide
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.098743063 u
Formula C20H16F3N7O3S
InChI InChI=1S/C20H16F3N7O3S/c1-11(13-6-8-14(9-7-13)25-18(31)20(21,22)23)26-29-19-24-12(2)17(34-19)28-27-15-4-3-5-16(10-15)30(32)33/h3-10H,1-2H3,(H,24,29)(H,25,31)
InChIKey ASFWPPXJKWCGPI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2022.103782
Molecular Weight 491.449 g/mol
Quality 72
SMILES N(N=C(C1=CC=C(C=C1)NC(C(F)(F)F)=O)C)C=1SC(=C(N1)C)N=NC1=CC=CC(=C1)[N+]([O-])=O
SPLASH splash10-044m-1791300000-fffb30147f054df906cf
Source of Spectrum AJC-15-SM20-7f (DOI: 10.1016/j.arabjc.2022.103782)
Wiley ID 1908080