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GTIGRKFOQAEVHJ-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

GTIGRKFOQAEVHJ-UHFFFAOYSA-N
SpectraBase Compound ID CgwJEkgMbC3
InChI InChI=1S/C13H13ClF3N3O/c14-7-8(15)10(17)12-11(9(7)16)19-5-1-3-18-4-2-6-20(12)13(19)21/h18H,1-6H2
InChIKey GTIGRKFOQAEVHJ-UHFFFAOYSA-N
Mol Weight 319.72 g/mol
Molecular Formula C13H13ClF3N3O
Exact Mass 319.069924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UJxp0OGqma
Name GTIGRKFOQAEVHJ-UHFFFAOYSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClF3N3O
InChI InChI=1S/C13H13ClF3N3O/c14-7-8(15)10(17)12-11(9(7)16)19-5-1-3-18-4-2-6-20(12)13(19)21/h18H,1-6H2
InChIKey GTIGRKFOQAEVHJ-UHFFFAOYSA-N
Literature Reference Author B.GIERCZYK,G.SCHROEDER,B.BRZEZINSKI
Literature Reference Citation J.ORG.CHEM.,68,3139(2003)
Literature Reference DOI 10.1021/jo026899f
Molecular Weight 319.714 g/mol
Solvent CDCl3
Source File Reference UWMS26345