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NNWFZLJTCAHJBB-UHFFFAOYSA-N
SpectraBase Compound ID GPJTrzOIw5h
InChI InChI=1S/C21H19BBrF2N3O3/c1-10-7-12(3)27-19(10)18(20-11(2)8-13(4)28(20)22(27,24)25)14-9-15(23)31-21(14)26-16(29)5-6-17(26)30/h7-9H,5-6H2,1-4H3
InChIKey NNWFZLJTCAHJBB-UHFFFAOYSA-N
Mol Weight 490.1 g/mol
Molecular Formula C21H19BBrF2N3O3
Exact Mass 489.067091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSyTX2Ta1bZ
Name NNWFZLJTCAHJBB-UHFFFAOYSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BBrF2N3O3
InChI InChI=1S/C21H19BBrF2N3O3/c1-10-7-12(3)27-19(10)18(20-11(2)8-13(4)28(20)22(27,24)25)14-9-15(23)31-21(14)26-16(29)5-6-17(26)30/h7-9H,5-6H2,1-4H3
InChIKey NNWFZLJTCAHJBB-UHFFFAOYSA-N
Literature Reference Author A.P.SINGH,K.M.LEE,K.KIM,T.JUN,D.G.CHURCHILL
Literature Reference Citation EUR.J.ORG.CHEM.,2012,931(2012)
Literature Reference DOI 10.1002/ejoc.201101447
Molecular Weight 490.111 g/mol
Solvent CDCl3
Source File Reference UWLU84959