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(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-fluoro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
SpectraBase Compound ID JO52NcfFvZi
InChI InChI=1S/C18H20F4N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey XOHGJZNZTQHAJM-QGZVFWFLSA-N
Mol Weight 404.36 g/mol
Molecular Formula C18H20F4N2O4
Exact Mass 404.13592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZMaSFbyvHv
Name (R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-fluoro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
Alternate Name(s) (R)-ethyl 2-((tert-butoxycarbonyl)amino)-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanoate (2R)-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester Ethyl (2R)-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Ethyl (2R)-2-(tert-butoxycarbonylamino)-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanoate Ethyl (2R)-3,3,3-tris(fluoranyl)-2-(5-fluoranyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Formula C18H20F4N2O4
InChI InChI=1S/C18H20F4N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey XOHGJZNZTQHAJM-QGZVFWFLSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 404.362 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](c1c2c(ccc(c2)F)[nH]c1)(C(=O)OCC)C(F)(F)F
SPLASH splash10-0kcr-4291300000-48b6a014a5f276072425
Source of Spectrum A1-13-1044/SMS5-4e
Wiley ID 1752825