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N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine

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N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine
SpectraBase Compound ID Hyig6k3A03i
InChI InChI=1S/C18H21ClINO/c1-13(11-15-12-17(22-2)7-8-18(15)20)21-10-9-14-3-5-16(19)6-4-14/h3-8,12-13,21H,9-11H2,1-2H3
InChIKey PJOAPSSEEXYGSP-UHFFFAOYSA-N
Mol Weight 429.73 g/mol
Molecular Formula C18H21ClINO
Exact Mass 429.035637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7wsdxDpxRC
Name N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.035636999 u
Formula C18H21ClINO
InChI InChI=1S/C18H21ClINO/c1-13(11-15-12-17(22-2)7-8-18(15)20)21-10-9-14-3-5-16(19)6-4-14/h3-8,12-13,21H,9-11H2,1-2H3
InChIKey PJOAPSSEEXYGSP-UHFFFAOYSA-N
Molecular Weight 429.729 g/mol
SMILES C1(=CC=C(C=C1)Cl)CCNC(CC1=CC(=CC=C1I)OC)C