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Propyl 3-(1-acetyl-1H-imidazol-4-yl)-2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]propanoate
SpectraBase Compound ID KAuHNcZYpzp
InChI InChI=1S/C15H16F7N3O4/c1-3-4-29-11(27)10(5-9-6-25(7-23-9)8(2)26)24-12(28)13(16,17)14(18,19)15(20,21)22/h6-7,10H,3-5H2,1-2H3,(H,24,28)
InChIKey OKJMINUWDBCHNG-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C15H16F7N3O4
Exact Mass 435.102903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 381bRZX3E8
Name Propyl 3-(1-acetyl-1H-imidazol-4-yl)-2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]propanoate
Alternate Name(s) 3-Acetyl-N-(heptafluorobutyryl)histidine, propyl ester 3-(1-acetyl-4-imidazolyl)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]propanoic acid propyl ester Propyl 3-(1-acetylimidazol-4-yl)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate Propyl 3-(1-ethanoylimidazol-4-yl)-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]propanoate
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Formula C15H16F7N3O4
InChI InChI=1S/C15H16F7N3O4/c1-3-4-29-11(27)10(5-9-6-25(7-23-9)8(2)26)24-12(28)13(16,17)14(18,19)15(20,21)22/h6-7,10H,3-5H2,1-2H3,(H,24,28)
InChIKey OKJMINUWDBCHNG-UHFFFAOYSA-N
Molecular Weight 435.299 g/mol
SMILES N(C(Cc1nc[n](c1)C(C)=O)C(OCCC)=O)C(=O)C(F)(C(F)(F)C(F)(F)F)F
SPLASH splash10-0536-9112000000-77f8c0eb6485121210bc
Source of Spectrum NP-15-982-0
Wiley ID 1112246