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Acetamide, N-[2-[4,5-dihydro-5-(1-methylethyl)-4-oxo-2-(trifluoromethyl)-1H-imid azol-1-yl]-2-oxoethyl]-2,2,2-trifluoro-N-methyl-, (S)-

View entire compound with spectra: 1 MS (GC)

Acetamide, N-[2-[4,5-dihydro-5-(1-methylethyl)-4-oxo-2-(trifluoromethyl)-1H-imid azol-1-yl]-2-oxoethyl]-2,2,2-trifluoro-N-methyl-, (S)-
SpectraBase Compound ID 1RYFTviv417
InChI InChI=1S/C12H13F6N3O3/c1-5(2)7-8(23)19-9(11(13,14)15)21(7)6(22)4-20(3)10(24)12(16,17)18/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKey JWQTXRKVQMRKSV-ZETCQYMHSA-N
Mol Weight 361.24 g/mol
Molecular Formula C12H13F6N3O3
Exact Mass 361.08611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvVYeQrvmpv
Name Acetamide, N-[2-[4,5-dihydro-5-(1-methylethyl)-4-oxo-2-(trifluoromethyl)-1H-imid azol-1-yl]-2-oxoethyl]-2,2,2-trifluoro-N-methyl-, (S)-
Alternate Name(s) 2,2,2-trifluoro-N-{2-[(5S)-5-isopropyl-4-oxo-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-yl]-2-oxoethyl}-N-methylacetamide Trifluoroacetyl derivative of sal-val-nh2
CAS Registry Number 64774-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F6N3O3
InChI InChI=1S/C12H13F6N3O3/c1-5(2)7-8(23)19-9(11(13,14)15)21(7)6(22)4-20(3)10(24)12(16,17)18/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKey JWQTXRKVQMRKSV-ZETCQYMHSA-N
Molecular Weight 361.244 g/mol
SMILES C=1(N([C@](C(N1)=O)(C(C)C)[H])C(CN(C(C(F)(F)F)=O)C)=O)C(F)(F)F
SPLASH splash10-0296-9420000000-f08a316810f7019e1a6d
Source of Spectrum KO-3-242-2
Wiley ID 1348808