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2-TRIFLUOROMETHYL-2-PHENYL-8-NITRO-1,3,5-BENZOOXADIAZEPIN-4-ONE
SpectraBase Compound ID 58XFl5jhrPM
InChI InChI=1S/C15H10F3N3O4/c16-15(17,18)14(9-4-2-1-3-5-9)20-13(22)19-11-7-6-10(21(23)24)8-12(11)25-14/h1-8H,(H2,19,20,22)
InChIKey MMWRJFBXMGTZIC-UHFFFAOYSA-N
Mol Weight 353.26 g/mol
Molecular Formula C15H10F3N3O4
Exact Mass 353.06234 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sVDqRckGTI
Name 2-TRIFLUOROMETHYL-2-PHENYL-8-NITRO-1,3,5-BENZOOXADIAZEPIN-4-ONE
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H10F3N3O4
InChI InChI=1S/C15H10F3N3O4/c16-15(17,18)14(9-4-2-1-3-5-9)20-13(22)19-11-7-6-10(21(23)24)8-12(11)25-14/h1-8H,(H2,19,20,22)
InChIKey MMWRJFBXMGTZIC-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1989) Zhurn.Org.Khim.(Russ. Lang.): v.25,N11, 2394-2399.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6