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2-(4-METHYLPHENYL)-2-TRIFLUOROMETHYL-7,8-DIBROMO-2H,3H,4H-1,5,3-BENZODIOXAZEPIN-4-ONE
SpectraBase Compound ID JMBpUxxpiik
InChI InChI=1S/C16H10Br2F3NO3/c1-8-2-4-9(5-3-8)15(16(19,20)21)22-14(23)24-12-6-10(17)11(18)7-13(12)25-15/h2-7H,1H3,(H,22,23)
InChIKey BBVRHCPJFJXNCV-UHFFFAOYSA-N
Mol Weight 481.06 g/mol
Molecular Formula C16H10Br2F3NO3
Exact Mass 478.897954 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pEYQ6CCHuy
Name 2-(4-METHYLPHENYL)-2-TRIFLUOROMETHYL-7,8-DIBROMO-2H,3H,4H-1,5,3-BENZODIOXAZEPIN-4-ONE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H10Br2F3NO3
InChI InChI=1S/C16H10Br2F3NO3/c1-8-2-4-9(5-3-8)15(16(19,20)21)22-14(23)24-12-6-10(17)11(18)7-13(12)25-15/h2-7H,1H3,(H,22,23)
InChIKey BBVRHCPJFJXNCV-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, 2457-2458.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d