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2-[(p-Bromophenoxy)methyl]-3-(ethoxymethyl)-1-ethylindole
SpectraBase Compound ID 7NbzBSCGwoz
InChI InChI=1S/C20H22BrNO2/c1-3-22-19-8-6-5-7-17(19)18(13-23-4-2)20(22)14-24-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKey MLCIVEJIZMBDSK-UHFFFAOYSA-N
Mol Weight 388.31 g/mol
Molecular Formula C20H22BrNO2
Exact Mass 387.083392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27ld7eicFZb
Name 2-[(p-Bromophenoxy)methyl]-3-(ethoxymethyl)-1-ethylindole
Comments Computed using HOSE algorithm
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Exact Mass 387.083391950 u
Formula C20H22BrNO2
InChI InChI=1S/C20H22BrNO2/c1-3-22-19-8-6-5-7-17(19)18(13-23-4-2)20(22)14-24-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3
InChIKey MLCIVEJIZMBDSK-UHFFFAOYSA-N
Molecular Weight 388.305 g/mol
SMILES C=12C=CC=CC1N(C(=C2COCC)COC=1C=CC(=CC1)Br)CC