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L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester
SpectraBase Compound ID LafRVJ0OOqN
InChI InChI=1S/C13H18F3N3O3/c1-3-4-5-22-11(20)10(18-12(21)13(14,15)16)6-9-7-19(2)8-17-9/h7-8,10H,3-6H2,1-2H3,(H,18,21)
InChIKey OGEMYKSAJIDKDR-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C13H18F3N3O3
Exact Mass 321.130026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrHcyJGD86y
Name L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester
CAS Registry Number 55145-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18F3N3O3
InChI InChI=1S/C13H18F3N3O3/c1-3-4-5-22-11(20)10(18-12(21)13(14,15)16)6-9-7-19(2)8-17-9/h7-8,10H,3-6H2,1-2H3,(H,18,21)
InChIKey OGEMYKSAJIDKDR-UHFFFAOYSA-N
Molecular Weight 321.300 g/mol
SMILES N(C(Cc1c[n](C)cn1)C(=O)OCCCC)C(C(F)(F)F)=O
SPLASH splash10-006t-9050000000-570b09c14d6613a772af
Source of Spectrum DO-0-125-9
Synonyms Butyl 3-(1-methyl-1H-imidazol-4-yl)-2-[(trifluoroacetyl)amino]propanoate 3-(1-Methyl-4-imidazolyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid butyl ester 3-(1-Methylimidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid butyl ester Butyl 3-(1-methylimidazol-4-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Butyl 3-(1-methylimidazol-4-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 1320762