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2-[ETHYL-(4-NITROBENZYLOXYCARBONYL)-AMINO]-ETHYLAMMONIUM-TRIFLUOROACETATE

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2-[ETHYL-(4-NITROBENZYLOXYCARBONYL)-AMINO]-ETHYLAMMONIUM-TRIFLUOROACETATE
SpectraBase Compound ID 1gYzKfCtjbB
InChI InChI=1S/C12H17N3O4.C2HF3O2/c1-2-13-7-8-14-12(16)19-9-10-3-5-11(6-4-10)15(17)18;3-2(4,5)1(6)7/h3-6,13H,2,7-9H2,1H3,(H,14,16);(H,6,7)
InChIKey RZHUDQKYVIJHDP-UHFFFAOYSA-N
Mol Weight 381.31 g/mol
Molecular Formula C14H18F3N3O6
Exact Mass 381.11477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqZddFqb8Ya
Name 2-[ETHYL-(4-NITROBENZYLOXYCARBONYL)-AMINO]-ETHYLAMMONIUM-TRIFLUOROACETATE
Compound Number E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18F3N3O6
InChI InChI=1S/C12H17N3O4.C2HF3O2/c1-2-13-7-8-14-12(16)19-9-10-3-5-11(6-4-10)15(17)18;3-2(4,5)1(6)7/h3-6,13H,2,7-9H2,1H3,(H,14,16);(H,6,7)
InChIKey RZHUDQKYVIJHDP-UHFFFAOYSA-N
Literature Reference Author P.M.T.FERREIRA,L.S.MONTEIRO
Literature Reference Citation EUR.J.ORG.CHEM.,3226(2006)
Molecular Weight 381.309 g/mol
Sample ID 32123
Solvent CDCl3