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7,8-DICHLORO-4-OXO-2,4-DIHYDRO-3H-2-(4-BROMOMETHYLPHENYL)-2-TRIFLUOROMETHYL-1,5,3-BENZODIOXAZEPINE
SpectraBase Compound ID CtWSeqOMSyT
InChI InChI=1S/C16H9BrCl2F3NO3/c17-7-8-1-3-9(4-2-8)15(16(20,21)22)23-14(24)25-12-5-10(18)11(19)6-13(12)26-15/h1-6H,7H2,(H,23,24)
InChIKey BELFMKHWMAFIPM-UHFFFAOYSA-N
Mol Weight 471.06 g/mol
Molecular Formula C16H9BrCl2F3NO3
Exact Mass 468.909496 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrQa4x194v3
Name 7,8-DICHLORO-4-OXO-2,4-DIHYDRO-3H-2-(4-BROMOMETHYLPHENYL)-2-TRIFLUOROMETHYL-1,5,3-BENZODIOXAZEPINE
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H9BrCl2F3NO3
InChI InChI=1S/C16H9BrCl2F3NO3/c17-7-8-1-3-9(4-2-8)15(16(20,21)22)23-14(24)25-12-5-10(18)11(19)6-13(12)26-15/h1-6H,7H2,(H,23,24)
InChIKey BELFMKHWMAFIPM-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