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N-[1-[2-(2-chloroethyl)-4,5-dimethoxy-phenyl]-2-(3,4-dimethoxyphenyl)ethyl]acetamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-[1-[2-(2-chloroethyl)-4,5-dimethoxy-phenyl]-2-(3,4-dimethoxyphenyl)ethyl]acetamide
SpectraBase Compound ID H6reLLemHNH
InChI InChI=1S/C22H28ClNO5/c1-14(25)24-18(10-15-6-7-19(26-2)20(11-15)27-3)17-13-22(29-5)21(28-4)12-16(17)8-9-23/h6-7,11-13,18H,8-10H2,1-5H3,(H,24,25)
InChIKey KIVFLMHDRHLINN-UHFFFAOYSA-N
Mol Weight 421.92 g/mol
Molecular Formula C22H28ClNO5
Exact Mass 421.165601 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KMgnEsNXz4
Name N-[1-[2-(2-Chloroethyl)-4,5-dimethoxy-phenyl]-2-(3,4-dimethoxyphenyl)ethyl]acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.165600701 u
Formula C22H28ClNO5
InChI InChI=1S/C22H28ClNO5/c1-14(25)24-18(10-15-6-7-19(26-2)20(11-15)27-3)17-13-22(29-5)21(28-4)12-16(17)8-9-23/h6-7,11-13,18H,8-10H2,1-5H3,(H,24,25)
InChIKey KIVFLMHDRHLINN-UHFFFAOYSA-N
Molecular Weight 421.921 g/mol
SMILES C=1(C(NC(=O)C)CC=2C=C(OC)C(=CC2)OC)C=C(OC)C(=CC1CCCl)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966648