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3-(3-NITROBENZOYLAMINO)-5-HYDROXY-1-(2,4,6-TRICHLOROPHENYL)-4-FLUOROPYRAZOL
SpectraBase Compound ID 4HraYE9BfQH
InChI InChI=1S/C16H8Cl3FN4O4/c17-8-5-10(18)13(11(19)6-8)23-16(26)12(20)14(22-23)21-15(25)7-2-1-3-9(4-7)24(27)28/h1-6,26H,(H,21,22,25)
InChIKey XBDBOFJLXUEZPT-UHFFFAOYSA-N
Mol Weight 445.62 g/mol
Molecular Formula C16H8Cl3FN4O4
Exact Mass 443.959516 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7cEH9PwM5G
Name 3-(3-NITROBENZOYLAMINO)-5-HYDROXY-1-(2,4,6-TRICHLOROPHENYL)-4-FLUOROPYRAZOL
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H8Cl3FN4O4
InChI InChI=1S/C16H8Cl3FN4O4/c17-8-5-10(18)13(11(19)6-8)23-16(26)12(20)14(22-23)21-15(25)7-2-1-3-9(4-7)24(27)28/h1-6,26H,(H,21,22,25)
InChIKey XBDBOFJLXUEZPT-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.V.BOGOLYUBSKY, A.A.SKRYNNIKOVA, V.I.POPOV, A.YA.IL'CHENKO, L.M.YAGUPOL'SKY(1989) Ukrain.Khim.Zhurn.(Russ. Lang.): v.55, N4, 420-423.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported