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ethanediamide, N~1~-[2-(1H-indol-3-yl)ethyl]-N~2~-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID 2XUMK5ctuA3
InChI InChI=1S/C21H23N3O5/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-21(26)20(25)22-9-8-13-12-23-16-7-5-4-6-15(13)16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,25)(H,24,26)
InChIKey HOKHSYHKCUJXFQ-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C21H23N3O5
Exact Mass 397.163771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dakj4ZHcVge
Name Ethanediamide, N~1~-[2-(1H-indol-3-yl)ethyl]-N~2~-(3,4,5-trimethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.163770848 u
Formula C21H23N3O5
InChI InChI=1S/C21H23N3O5/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-21(26)20(25)22-9-8-13-12-23-16-7-5-4-6-15(13)16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,25)(H,24,26)
InChIKey HOKHSYHKCUJXFQ-UHFFFAOYSA-N
Molecular Weight 397.431 g/mol
SMILES N(C(C(NC1=CC(OC)=C(C(=C1)OC)OC)=O)=O)CCC1=CNC2=C1C=CC=C2