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[2',3',4',4'-2H4]dimethyl {p-trifluoroacetamido]benzoyl}-L-glutamate
SpectraBase Compound ID GGWyTdITA5i
InChI InChI=1S/C16H17F3N2O6/c1-26-12(22)8-7-11(14(24)27-2)21-13(23)9-3-5-10(6-4-9)20-15(25)16(17,18)19/h3-6,11H,7-8H2,1-2H3,(H,20,25)(H,21,23)/t11-/m0/s1/i7D2,8D2
InChIKey RXRWKOBMLFNNBA-QCSVEXGJSA-N
Mol Weight 394.34 g/mol
Molecular Formula C16H13D4F3N2O6
Exact Mass 394.128978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzvFX09GnKa
Name [2',3',4',4'-2H4]dimethyl {p-trifluoroacetamido]benzoyl}-L-glutamate
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Formula C16H13D4F3N2O6
InChI InChI=1S/C16H17F3N2O6/c1-26-12(22)8-7-11(14(24)27-2)21-13(23)9-3-5-10(6-4-9)20-15(25)16(17,18)19/h3-6,11H,7-8H2,1-2H3,(H,20,25)(H,21,23)/t11-/m0/s1/i7D2,8D2
InChIKey RXRWKOBMLFNNBA-QCSVEXGJSA-N
Molecular Weight 394.340 g/mol
SMILES N([C@@](C(C(C(=O)OC)([D])[D])([D])[D])(C(=O)OC)[H])C(c1ccc(NC(C(F)(F)F)=O)cc1)=O
SPLASH splash10-014i-0091000000-353f8fffafc9d4eb973f
Source of Spectrum KC-0-1321-29
Synonyms [3',3',4',4'-2H4]dimethyl-{p-trifluoroacetamido]-benzoyl}-L-glutamate (4S)-2,2,3,3-tetradeuterio-4-[[oxo-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]methyl]amino]pentanedioic acid dimethyl ester Dimethyl (4S)-2,2,3,3-tetradeuterio-4-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate Dimethyl (4S)-2,2,3,3-tetradeuterio-4-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]carbonylamino]pentanedioate
Wiley ID 827973