For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-BROMOBENZOIC ACID, 1-PHENYL-1-[N-(2,4,6-TRIMETHYLPHENYL)CARBODIIMIDO]-2,2,2-TRIFLUOROETHYL ESTER
SpectraBase Compound ID 3UBr51kbyc1
InChI InChI=1S/C25H20BrF3N2O2/c1-16-13-17(2)22(18(3)14-16)30-15-31-24(25(27,28)29,20-7-5-4-6-8-20)33-23(32)19-9-11-21(26)12-10-19/h4-14H,1-3H3
InChIKey CMXLIXAELUMSER-UHFFFAOYSA-N
Mol Weight 517.35 g/mol
Molecular Formula C25H20BrF3N2O2
Exact Mass 516.066025 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7QmIPLv7yhG
Name 4-BROMOBENZOIC ACID, 1-PHENYL-1-[N-(2,4,6-TRIMETHYLPHENYL)CARBODIIMIDO]-2,2,2-TRIFLUOROETHYL ESTER
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H20BrF3N2O2
InChI InChI=1S/C25H20BrF3N2O2/c1-16-13-17(2)22(18(3)14-16)30-15-31-24(25(27,28)29,20-7-5-4-6-8-20)33-23(32)19-9-11-21(26)12-10-19/h4-14H,1-3H3
InChIKey CMXLIXAELUMSER-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1988) Zhurn.Org.Khim.(Russ. Lang.): v.24,N4, 727-732.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d