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N-2-[3-(N-Acetyl-N-allylamino)-2-bromophenyl]ethenyl-2-(4'-methoxyphenylmethyloxymethyl)prop-2-enylmethylamine
SpectraBase Compound ID JPFIoj4tqkI
InChI InChI=1S/C26H31BrN2O3/c1-6-15-29(21(3)30)25-9-7-8-23(26(25)27)14-16-28(4)17-20(2)18-32-19-22-10-12-24(31-5)13-11-22/h6-14,16H,1-2,15,17-19H2,3-5H3/b16-14+
InChIKey LCGKYUPOPBOUCH-JQIJEIRASA-N
Mol Weight 499.45 g/mol
Molecular Formula C26H31BrN2O3
Exact Mass 498.151806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhrmXyTicRr
Name N-2-[3-(N-Acetyl-N-allylamino)-2-bromophenyl]ethenyl-2-(4'-methoxyphenylmethyloxymethyl)prop-2-enylmethylamine
Alternate Name(s) N-allyl-N-(2-bromo-3-{(E)-2-[(2-{[(4-methoxybenzyl)oxy]methyl}-2-propenyl)(methyl)amino]ethenyl}phenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31BrN2O3
InChI InChI=1S/C26H31BrN2O3/c1-6-15-29(21(3)30)25-9-7-8-23(26(25)27)14-16-28(4)17-20(2)18-32-19-22-10-12-24(31-5)13-11-22/h6-14,16H,1-2,15,17-19H2,3-5H3/b16-14+
InChIKey LCGKYUPOPBOUCH-JQIJEIRASA-N
Molecular Weight 499.449 g/mol
SMILES c1(N(C(=O)C)CC=C)c(c(\C=C\N(CC(=C)COCc2ccc(cc2)OC)C)ccc1)Br
SPLASH splash10-00xr-0800900000-c23ad2640d1e3f414abf
Source of Spectrum F-50-2199-38
Wiley ID 1398537