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4-OXO-1,5-DIOXA-2-TRIFLUOROMETHYL-2-PHENYL-3-AZEPINE
SpectraBase Compound ID 6rkGJQ2mRjU
InChI InChI=1S/C11H10F3NO3/c12-11(13,14)10(8-4-2-1-3-5-8)15-9(16)17-6-7-18-10/h1-5H,6-7H2,(H,15,16)
InChIKey AQKWIKMKHVGRNA-UHFFFAOYSA-N
Mol Weight 261.2 g/mol
Molecular Formula C11H10F3NO3
Exact Mass 261.061278 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cUf1Xlcuu
Name 4-OXO-1,5-DIOXA-2-TRIFLUOROMETHYL-2-PHENYL-3-AZEPINE
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H10F3NO3
InChI InChI=1S/C11H10F3NO3/c12-11(13,14)10(8-4-2-1-3-5-8)15-9(16)17-6-7-18-10/h1-5H,6-7H2,(H,15,16)
InChIKey AQKWIKMKHVGRNA-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, 2390-2394.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6