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ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-[2-(4-morpholinylcarbonyl)phenyl]-
SpectraBase Compound ID L35f0nPCHGG
InChI InChI=1S/C21H21N3O6/c25-19(22-12-14-5-6-17-18(11-14)30-13-29-17)20(26)23-16-4-2-1-3-15(16)21(27)24-7-9-28-10-8-24/h1-6,11H,7-10,12-13H2,(H,22,25)(H,23,26)
InChIKey OZAITCPXZMTJAD-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H21N3O6
Exact Mass 411.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3u9Z7CXvCZr
Name Ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-[2-(4-morpholinylcarbonyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.143035402 u
Formula C21H21N3O6
InChI InChI=1S/C21H21N3O6/c25-19(22-12-14-5-6-17-18(11-14)30-13-29-17)20(26)23-16-4-2-1-3-15(16)21(27)24-7-9-28-10-8-24/h1-6,11H,7-10,12-13H2,(H,22,25)(H,23,26)
InChIKey OZAITCPXZMTJAD-UHFFFAOYSA-N
Molecular Weight 411.414 g/mol
SMILES N(C(C(NCC=1C=C2OCOC2=CC1)=O)=O)C1=C(C(N2CCOCC2)=O)C=CC=C1