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DL-Norleucine, N-benzoyl-6,6,6-trifluoro-, ethyl ester
SpectraBase Compound ID YDU6AHx47m
InChI InChI=1S/C15H18F3NO3/c1-2-22-14(21)12(9-6-10-15(16,17)18)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)
InChIKey BPVWADAYBGHINT-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QFUpMziuWL
Name DL-Norleucine, N-benzoyl-6,6,6-trifluoro-, ethyl ester
Alternate Name(s) ethyl 2-(benzoylamino)-6,6,6-trifluorohexanoate N-Benzoyl-6,6,6-trifluoroleucine ethyl ester
CAS Registry Number 122489-89-8
Comments Less than 3 mono-isotopic peaks
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Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-2-22-14(21)12(9-6-10-15(16,17)18)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)
InChIKey BPVWADAYBGHINT-UHFFFAOYSA-N
Molecular Weight 317.308 g/mol
SMILES N(C(=O)c1ccccc1)C(C(=O)OCC)CCCC(F)(F)F
SPLASH splash10-0a4i-0900000000-1714f4a92a80c0cf37cf
Source of Spectrum J-54-4518-12
Wiley ID 1317569