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TEB-derivative of histidine

View entire compound with spectra: 1 MS (GC)

TEB-derivative of histidine
SpectraBase Compound ID CTPbv4FnCSi
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)
InChIKey DXVNECLRQMETGS-UHFFFAOYSA-N
Mol Weight 379.34 g/mol
Molecular Formula C15H20F3N3O5
Exact Mass 379.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8m2wBSUn5BZ
Name TEB-derivative of histidine
Alternate Name(s) Ethyl 4-{3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl}-1H-imidazole-1-carboxylate n-Butyl N.alpha.-trifluoroacetyl-N(IM)-ethoxycarbonyl-1H-imidazole-4-propanoate N.alpha.-Trifluoroacetyl-N(im)-ethoxycarbonylhistidine n-butyl ester
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Formula C15H20F3N3O5
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)
InChIKey DXVNECLRQMETGS-UHFFFAOYSA-N
Molecular Weight 379.336 g/mol
SMILES N(C(C(F)(F)F)=O)C(Cc1c[n](C(=O)OCC)cn1)C(=O)OCCCC
SPLASH splash10-0059-5391000000-24bc9176a3fc4ce1a403
Source of Spectrum KO-16-315-1
Wiley ID 1359168