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L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
SpectraBase Compound ID A0quH1zFYhY
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-12(2)24-15(22)14(21-16(23)17(18,19)20)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,21,23)
InChIKey QYFLFCZYTDVMNE-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H22F3NO3
Exact Mass 345.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OE28wZ4FxY
Name L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpentyl ester
CAS Registry Number 58072-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-3-4-8-12(2)24-15(22)14(21-16(23)17(18,19)20)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,21,23)
InChIKey QYFLFCZYTDVMNE-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OC(C)CCCC)C(C(F)(F)F)=O
SPLASH splash10-0007-9710000000-a78b3ef7c08fd720c070
Source of Spectrum W5-30575-0-0
Synonyms 1-Methylpentyl 3-phenyl-2-[(trifluoroacetyl)amino]propanoate 1-Methylpentyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate 3-Phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid hexan-2-yl ester 3-Phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid 1-methylpentyl ester Hexan-2-yl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Hexan-2-yl 3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 1338578