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L-Histidine, N-(trifluoroacetyl)-, butyl ester
SpectraBase Compound ID F26yFETGjMm
InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-21-10(19)9(5-8-6-16-7-17-8)18-11(20)12(13,14)15/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKey CCHOJMDTLLJCED-UHFFFAOYSA-N
Mol Weight 307.27 g/mol
Molecular Formula C12H16F3N3O3
Exact Mass 307.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1xvDnK83ac
Name L-Histidine, N-(trifluoroacetyl)-, butyl ester
CAS Registry Number 55255-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F3N3O3
InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-21-10(19)9(5-8-6-16-7-17-8)18-11(20)12(13,14)15/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKey CCHOJMDTLLJCED-UHFFFAOYSA-N
Molecular Weight 307.273 g/mol
SMILES [nH]1c(CC(C(=O)OCCCC)NC(C(F)(F)F)=O)cnc1
SPLASH splash10-053r-9220000000-4858d5941d9480deff74
Source of Spectrum AM-0-12-0
Synonyms Butyl 3-(1H-imidazol-5-yl)-2-[(trifluoroacetyl)amino]propanoate 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid butyl ester 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid butyl ester Butyl 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate Butyl 3-(1H-imidazol-5-yl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 45679