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Ethanediamide, N(1)-(4-ethoxyphenyl)-N(2)-[[4-(4-morpholinylmethyl)phenyl]methyl]-
SpectraBase Compound ID 9jLucvHT1VL
InChI InChI=1S/C22H27N3O4/c1-2-29-20-9-7-19(8-10-20)24-22(27)21(26)23-15-17-3-5-18(6-4-17)16-25-11-13-28-14-12-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKey AANXLTKYTKBPNU-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C22H27N3O4
Exact Mass 397.200156 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 98m672mSXbq
Name Ethanediamide, N(1)-(4-ethoxyphenyl)-N(2)-[[4-(4-morpholinylmethyl)phenyl]methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.200156357 u
Formula C22H27N3O4
InChI InChI=1S/C22H27N3O4/c1-2-29-20-9-7-19(8-10-20)24-22(27)21(26)23-15-17-3-5-18(6-4-17)16-25-11-13-28-14-12-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKey AANXLTKYTKBPNU-UHFFFAOYSA-N
Molecular Weight 397.475 g/mol
SMILES C=1(C=CC(=CC1)CNC(=O)C(NC=1C=CC(=CC1)OCC)=O)CN1CCOCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86543