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(Z)-N-[3-ETHYL-1,2-DIHYDRO-5-HYDROXYIMINO-1H-BENZO-[D]-AZEPIN-4(3H)-YLIDENE]-METHYLAMINE-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 6ttTEsrMa5P
InChI InChI=1S/C13H17N3O.CHF3O3S/c1-3-16-9-8-10-6-4-5-7-11(10)12(15-17)13(16)14-2;2-1(3,4)8(5,6)7/h4-7,17H,3,8-9H2,1-2H3;(H,5,6,7)/b14-13-,15-12+;
InChIKey UNJPNCFXKKIRKR-INWZTCDFSA-N
Mol Weight 381.37 g/mol
Molecular Formula C14H18F3N3O4S
Exact Mass 381.097012 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBL36QWHeNN
Name (Z)-N-[3-ETHYL-1,2-DIHYDRO-5-HYDROXYIMINO-1H-BENZO-[D]-AZEPIN-4(3H)-YLIDENE]-METHYLAMINE-TRIFLUOROMETHANESULFONATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17F3N3O4S
InChI InChI=1S/C13H17N3O.CHF3O3S/c1-3-16-9-8-10-6-4-5-7-11(10)12(15-17)13(16)14-2;2-1(3,4)8(5,6)7/h4-7,17H,3,8-9H2,1-2H3;(H,5,6,7)/b14-13-,15-12+;
InChIKey UNJPNCFXKKIRKR-INWZTCDFSA-N
Literature Reference Author S.YAYA,B.FANTE,S.SORHO,C.JEAN-MARIE,A.A.AUGUSTIN
Literature Reference Citation J.CHEM.SCI.,119,259(2007)
Literature Reference DOI 10.1007/s12039-007-0034-4
Solvent ACETONE-D6
Source File Reference UWBT11799