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2-(5-Methoxy-2-methyl-1H-indol-3-yl)ethyl-[3-(trifluoromethyl)benzyl]amine
SpectraBase Compound ID DF9RQd41CQG
InChI InChI=1S/C20H21F3N2O/c1-13-17(18-11-16(26-2)6-7-19(18)25-13)8-9-24-12-14-4-3-5-15(10-14)20(21,22)23/h3-7,10-11,24-25H,8-9,12H2,1-2H3
InChIKey JMANQSZLPQVTAI-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C20H21F3N2O
Exact Mass 362.160598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cx6fNp2vhHj
Name [2-(5-Methoxy-2-methyl-1H-indol-3-yl)ethyl](3-trifluoromethylbenzyl)amine
Comments Computed using HOSE algorithm
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Exact Mass 362.160597792 u
Formula C20H21F3N2O
InChI InChI=1S/C20H21F3N2O/c1-13-17(18-11-16(26-2)6-7-19(18)25-13)8-9-24-12-14-4-3-5-15(10-14)20(21,22)23/h3-7,10-11,24-25H,8-9,12H2,1-2H3
InChIKey JMANQSZLPQVTAI-UHFFFAOYSA-N
Molecular Weight 362.396 g/mol
SMILES COC1=CC=2C(=C(NC2C=C1)C)CCNCC=1C=C(C(F)(F)F)C=CC1