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L-Isoleucine, N-(trifluoroacetyl)-, 1-methylbutyl ester
SpectraBase Compound ID 8jzrEEpDZg3
InChI InChI=1S/C13H22F3NO3/c1-5-7-9(4)20-11(18)10(8(3)6-2)17-12(19)13(14,15)16/h8-10H,5-7H2,1-4H3,(H,17,19)
InChIKey NVWFQBFGFYXVKJ-UHFFFAOYSA-N
Mol Weight 297.32 g/mol
Molecular Formula C13H22F3NO3
Exact Mass 297.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 699rl2kY6EH
Name L-Isoleucine, N-(trifluoroacetyl)-, 1-methylbutyl ester
CAS Registry Number 57983-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22F3NO3
InChI InChI=1S/C13H22F3NO3/c1-5-7-9(4)20-11(18)10(8(3)6-2)17-12(19)13(14,15)16/h8-10H,5-7H2,1-4H3,(H,17,19)
InChIKey NVWFQBFGFYXVKJ-UHFFFAOYSA-N
Molecular Weight 297.318 g/mol
SMILES N(C(C(OC(CCC)C)=O)C(CC)C)C(C(F)(F)F)=O
SPLASH splash10-00l6-9300000000-1d36ab74650a9b07e492
Source of Spectrum W5-26718-0-0
Synonyms 1-Methylbutyl 3-methyl-2-[(trifluoroacetyl)amino]pentanoate 1-Methylbutyl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate 3-Methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid pentan-2-yl ester 3-Methyl-2-[(2,2,2-trifluoroacetyl)amino]valeric acid 1-methylbutyl ester Pentan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Pentan-2-yl 3-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate
Wiley ID 1299971