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(S)-3-Methyl-2-[methyl-(2,2,2-trifluoro-acetyl)-amino]-N-phenyl-butyramide
SpectraBase Compound ID DG2x3hysDvi
InChI InChI=1S/C14H17F3N2O2/c1-9(2)11(19(3)13(21)14(15,16)17)12(20)18-10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKey NJZBISHEMWKXRN-NSHDSACASA-N
Mol Weight 302.3 g/mol
Molecular Formula C14H17F3N2O2
Exact Mass 302.124212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFFRdHAg7ZS
Name (S)-3-Methyl-2-[methyl-(2,2,2-trifluoro-acetyl)-amino]-N-phenyl-butyramide
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1631823 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3N2O2
InChI InChI=1S/C14H17F3N2O2/c1-9(2)11(19(3)13(21)14(15,16)17)12(20)18-10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKey NJZBISHEMWKXRN-NSHDSACASA-N
Molecular Weight 302.297 g/mol
SMILES N(C([C@@](N(C(C(F)(F)F)=O)C)(C(C)C)[H])=O)c1ccccc1
SPLASH splash10-00lr-0902000000-30879d7d4e091c804a99
Source of Spectrum F-62-278-10
Synonyms (2S)-3-methyl-2-[methyl(trifluoroacetyl)amino]-N-phenylbutanamide N-Methyl-N-[1-(N'-phenylcarbamyl)-2-methylpropyl]formamide
Wiley ID 1821366