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ethanediamide, N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~2~-(5-methyl-3-isoxazolyl)-
SpectraBase Compound ID CgpxSArm7DW
InChI InChI=1S/C17H18N4O4/c1-10-7-15(21-25-10)20-17(23)16(22)18-6-5-11-9-19-14-4-3-12(24-2)8-13(11)14/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKey DQQXLWLJLYGZMN-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C17H18N4O4
Exact Mass 342.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd5iryuLPsC
Name Ethanediamide, N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~2~-(5-methyl-3-isoxazolyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.132805072 u
Formula C17H18N4O4
InChI InChI=1S/C17H18N4O4/c1-10-7-15(21-25-10)20-17(23)16(22)18-6-5-11-9-19-14-4-3-12(24-2)8-13(11)14/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKey DQQXLWLJLYGZMN-UHFFFAOYSA-N
SMILES N(C(C(=O)NCCC1=CNC2=C1C=C(C=C2)OC)=O)C1=NOC(=C1)C