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3-(3-NITROBENZOYLAMINO)-5-(3-NITROBENZOYLOXY)-1-(2,4,6-TRICHLOROPHENYL)-4-FLUOROPYRAZOL
SpectraBase Compound ID KA3A40oDSH1
InChI InChI=1S/C23H11Cl3FN5O7/c24-13-9-16(25)19(17(26)10-13)30-22(39-23(34)12-4-2-6-15(8-12)32(37)38)18(27)20(29-30)28-21(33)11-3-1-5-14(7-11)31(35)36/h1-10H,(H,28,29,33)
InChIKey IQVMYHDLEOAVCX-UHFFFAOYSA-N
Mol Weight 594.73 g/mol
Molecular Formula C23H11Cl3FN5O7
Exact Mass 592.970809 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqpOFMMmxcO
Name 3-(3-NITROBENZOYLAMINO)-5-(3-NITROBENZOYLOXY)-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 C23H11Cl3FN5O7
InChI InChI=1S/C23H11Cl3FN5O7/c24-13-9-16(25)19(17(26)10-13)30-22(39-23(34)12-4-2-6-15(8-12)32(37)38)18(27)20(29-30)28-21(33)11-3-1-5-14(7-11)31(35)36/h1-10H,(H,28,29,33)
InChIKey IQVMYHDLEOAVCX-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 C3H6O acetone