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(R)-Methyl 3-{2-[(tert-butoxycarbonyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}-1H-indole-5-carboxylate
SpectraBase Compound ID 89rgfxkrn8D
InChI InChI=1S/C20H23F3N2O6/c1-6-30-16(27)19(20(21,22)23,25-17(28)31-18(2,3)4)13-10-24-14-8-7-11(9-12(13)14)15(26)29-5/h7-10,24H,6H2,1-5H3,(H,25,28)/t19-/m1/s1
InChIKey WGYRFJSVZIBJIC-LJQANCHMSA-N
Mol Weight 444.41 g/mol
Molecular Formula C20H23F3N2O6
Exact Mass 444.150821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKCm6sflJHT
Name (R)-Methyl 3-{2-[(tert-butoxycarbonyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl}-1H-indole-5-carboxylate
Alternate Name(s) (R)-methyl 3-(2-((tert-butoxycarbonyl)amino)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)-1H-indole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23F3N2O6
InChI InChI=1S/C20H23F3N2O6/c1-6-30-16(27)19(20(21,22)23,25-17(28)31-18(2,3)4)13-10-24-14-8-7-11(9-12(13)14)15(26)29-5/h7-10,24H,6H2,1-5H3,(H,25,28)/t19-/m1/s1
InChIKey WGYRFJSVZIBJIC-LJQANCHMSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 444.407 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](c1c2c(ccc(c2)C(=O)OC)[nH]c1)(C(OCC)=O)C(F)(F)F
SPLASH splash10-05fr-4091500000-d85b81e4c4f2f7780042
Source of Spectrum A1-13-1044/SMS7-4j
Wiley ID 1752830