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Ethyl 3, 3, 3-trifluoro-2-(1H-indol-3-yl)-2-(1-phenylethylamino)propanoate
SpectraBase Compound ID CqsluyrZT3f
InChI InChI=1S/C21H21F3N2O2/c1-3-28-19(27)20(21(22,23)24,26-14(2)15-9-5-4-6-10-15)17-13-25-18-12-8-7-11-16(17)18/h4-14,25-26H,3H2,1-2H3
InChIKey JSVFFMHSQXUBGK-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C21H21F3N2O2
Exact Mass 390.155512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9eCPdegKKS
Name Ethyl 3, 3, 3-trifluoro-2-(1H-indol-3-yl)-2-(1-phenylethylamino)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 390.155512411 u
Formula C21H21F3N2O2
InChI InChI=1S/C21H21F3N2O2/c1-3-28-19(27)20(21(22,23)24,26-14(2)15-9-5-4-6-10-15)17-13-25-18-12-8-7-11-16(17)18/h4-14,25-26H,3H2,1-2H3
InChIKey JSVFFMHSQXUBGK-UHFFFAOYSA-N
Molecular Weight 390.406 g/mol
SMILES C1=CC=C2NC=C(C2=C1)C(C(OCC)=O)(C(F)(F)F)NC(C1=CC=CC=C1)C