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1-ISOCYANATO-1-(4-BROMOMETHYLPHENYL)-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
SpectraBase Compound ID BVSR88JuyWM
InChI InChI=1S/C17H10Br2F3NO3/c18-9-11-1-5-13(6-2-11)16(23-10-24,17(20,21)22)26-15(25)12-3-7-14(19)8-4-12/h1-8H,9H2
InChIKey OUZPEFBFQFPWBW-UHFFFAOYSA-N
Mol Weight 493.07 g/mol
Molecular Formula C17H10Br2F3NO3
Exact Mass 490.897954 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImHgZ6lXNTq
Name 1-ISOCYANATO-1-(4-BROMOMETHYLPHENYL)-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H10Br2F3NO3
InChI InChI=1S/C17H10Br2F3NO3/c18-9-11-1-5-13(6-2-11)16(23-10-24,17(20,21)22)26-15(25)12-3-7-14(19)8-4-12/h1-8H,9H2
InChIKey OUZPEFBFQFPWBW-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 CDCl3 chloroform-d