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L-Isovaline, N-(trifluoroacetyl)-, 1-methylpentyl ester
SpectraBase Compound ID 7AcwZfFNUE9
InChI InChI=1S/C13H22F3NO3/c1-5-7-8-9(3)20-11(19)12(4,6-2)17-10(18)13(14,15)16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKey XCDGISUQPUBCCJ-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 6GPp7n02Toi
Name L-Isovaline, N-(trifluoroacetyl)-, 1-methylpentyl ester
CAS Registry Number 57983-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22F3NO3
InChI InChI=1S/C13H22F3NO3/c1-5-7-8-9(3)20-11(19)12(4,6-2)17-10(18)13(14,15)16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKey XCDGISUQPUBCCJ-UHFFFAOYSA-N
Molecular Weight 297.318 g/mol
SMILES N(C(C(OC(CCCC)C)=O)(CC)C)C(C(F)(F)F)=O
SPLASH splash10-014l-9600000000-c124524101f0f20d9d66
Source of Spectrum W5-26720-0-0
Synonyms 1-Methylpentyl 2-methyl-2-[(trifluoroacetyl)amino]butanoate 1-Methylpentyl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate 2-Methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid hexan-2-yl ester 2-Methyl-2-[(2,2,2-trifluoroacetyl)amino]butyric acid 1-methylpentyl ester Hexan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate Hexan-2-yl 2-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate
Wiley ID 1299972