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3-{1',6'-Dioxo-3'-(trifluoromethyl)-5'-[(benzyloxy)aminocarbonyl]-5'-methylhexyl}-4-benzyloxazolidin-2-one
SpectraBase Compound ID 5vl5GrB0AUw
InChI InChI=1S/C26H30F3N3O5/c1-17(2)23(24(34)31-37-15-19-11-7-4-8-12-19)30-21(26(27,28)29)14-22(33)32-20(16-36-25(32)35)13-18-9-5-3-6-10-18/h3-12,17,20-21,23,30H,13-16H2,1-2H3,(H,31,34)/t20-,21-,23-/m0/s1
InChIKey CXXAQKIASSUAQB-FUDKSRODSA-N
Mol Weight 521.54 g/mol
Molecular Formula C26H30F3N3O5
Exact Mass 521.213756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeNHO4brUp9
Name 3-{1',6'-Dioxo-3'-(trifluoromethyl)-5'-[(benzyloxy)aminocarbonyl]-5'-methylhexyl}-4-benzyloxazolidin-2-one
Alternate Name(s) (S)-2-[(S)-3-((S)-4-Benzyl-2-oxo-oxazolidin-3-yl)-3-oxo-1-trifluoromethyl-propylamino]-N-benzyloxy-3-methyl-butyramide 3-{1',6'-Dioxo-3'-(trifluoromethyl)-5'-[(benzyloxy)aminocarbonyl]-5'-isopropyl-3'-aza-hexyl}-4-benzyloxazolidin-2-one 4-Benzyl-3-[4-[N-(N'-Benzyloxyaminocarbonyl)isobutyl]-4,4,4-trifluoro-1-oxobutylamino]-[1,3]-oxazolan-2-one 4-Benzyl-3-[4-[N-(N'-Benzyloxyaminocarbonyl)isobutyl]amino-4,4,4-trifluoro-1-oxobutyl]-[1,3]-oxazolan-2-one
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Formula C26H30F3N3O5
InChI InChI=1S/C26H30F3N3O5/c1-17(2)23(24(34)31-37-15-19-11-7-4-8-12-19)30-21(26(27,28)29)14-22(33)32-20(16-36-25(32)35)13-18-9-5-3-6-10-18/h3-12,17,20-21,23,30H,13-16H2,1-2H3,(H,31,34)/t20-,21-,23-/m0/s1
InChIKey CXXAQKIASSUAQB-FUDKSRODSA-N
Molecular Weight 521.537 g/mol
SMILES N([C@](C(F)(F)F)(CC(N1C(OC[C@@]1(Cc1ccccc1)[H])=O)=O)[H])[C@](C(=O)NOCc1ccccc1)(C(C)C)[H]
SPLASH splash10-00di-4009010000-3fedb6525c4577ef04a6
Source of Spectrum K1-2002-434-4
Wiley ID 1522018