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Methyl 2-{N-[2-(2-oxo-2,3-dihydrobenzoxazol-5-yl)ethyl]-N-(trifluoromethylsulfonyl0amino}propionate
SpectraBase Compound ID 7gy9I252mG4
InChI InChI=1S/C14H15F3N2O6S/c1-8(12(20)24-2)19(26(22,23)14(15,16)17)6-5-9-3-4-11-10(7-9)18-13(21)25-11/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)
InChIKey MHZCVQAGGMCRGU-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C14H15F3N2O6S
Exact Mass 396.060292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSwumYPTfdl
Name Methyl 2-{N-[2-(2-oxo-2,3-dihydrobenzoxazol-5-yl)ethyl]-N-(trifluoromethylsulfonyl0amino}propionate
Appearance Colorless solid
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Formula C14H15F3N2O6S
InChI InChI=1S/C14H15F3N2O6S/c1-8(12(20)24-2)19(26(22,23)14(15,16)17)6-5-9-3-4-11-10(7-9)18-13(21)25-11/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)
InChIKey MHZCVQAGGMCRGU-UHFFFAOYSA-N
Instrument Name Thermo Finnigan MAT LCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200177
Molecular Weight 396.337 g/mol
SMILES N1C(Oc2ccc(cc12)CCN(C(C(OC)=O)C)S(C(F)(F)F)(=O)=O)=O
SPLASH splash10-03di-0901000000-40d30a79278e0c7b76a9
Source of Spectrum APC-355-7-8
Thin-Layer Chromatography Rf = 0.41
Wiley ID 1873049