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Butyl 5-((bis[(trifluoroacetyl)amino]methylene)amino)-2-[(trifluoroacetyl)amino]pentanoate
SpectraBase Compound ID uPJAQdwL5g
InChI InChI=1S/C16H19F9N4O5/c1-2-3-7-34-9(30)8(27-10(31)14(17,18)19)5-4-6-26-13(28-11(32)15(20,21)22)29-12(33)16(23,24)25/h8H,2-7H2,1H3,(H,27,31)(H2,26,28,29,32,33)
InChIKey CQHSZVWMZVKPRP-UHFFFAOYSA-N
Mol Weight 518.34 g/mol
Molecular Formula C16H19F9N4O5
Exact Mass 518.121173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FETc366c0Wb
Name Butyl 5-((bis[(trifluoroacetyl)amino]methylene)amino)-2-[(trifluoroacetyl)amino]pentanoate
Alternate Name(s) 5-[bis[(2,2,2-trifluoro-1-oxoethyl)amino]methylideneamino]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid butyl ester 5-[bis[(2,2,2-trifluoroacetyl)amino]methyleneamino]-2-[(2,2,2-trifluoroacetyl)amino]valeric acid butyl ester Butyl 5-[bis[(2,2,2-trifluoroacetyl)amino]methyleneamino]-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Butyl 5-[bis[(2,2,2-trifluoroacetyl)amino]methylideneamino]-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Butyl 5-[bis[2,2,2-tris(fluoranyl)ethanoylamino]methylideneamino]-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate N,N'',N'''-tris(trifluoroacetyl)arginine n-butyl ester N-TFA arginine, n-butyl ester
CAS Registry Number 10003-39-1
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Formula C16H19F9N4O5
InChI InChI=1S/C16H19F9N4O5/c1-2-3-7-34-9(30)8(27-10(31)14(17,18)19)5-4-6-26-13(28-11(32)15(20,21)22)29-12(33)16(23,24)25/h8H,2-7H2,1H3,(H,27,31)(H2,26,28,29,32,33)
InChIKey CQHSZVWMZVKPRP-UHFFFAOYSA-N
Molecular Weight 518.337 g/mol
SMILES N(C(=NCCCC(NC(C(F)(F)F)=O)C(=O)OCCCC)NC(C(F)(F)F)=O)C(C(F)(F)F)=O
SPLASH splash10-014l-9210000000-e37c1e996ff91ae70ec2
Source of Spectrum W-0-1-449
Wiley ID 754115