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ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-(4-butylphenyl)-

View entire compound with spectra: 2 NMR

ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-(4-butylphenyl)-
SpectraBase Compound ID 4pM87UTP7Jp
InChI InChI=1S/C20H22N2O4/c1-2-3-4-14-5-8-16(9-6-14)22-20(24)19(23)21-12-15-7-10-17-18(11-15)26-13-25-17/h5-11H,2-4,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKey PSDWRGDYARRBJR-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpiWy2irmKV
Name Ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-(4-butylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.157957192 u
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-2-3-4-14-5-8-16(9-6-14)22-20(24)19(23)21-12-15-7-10-17-18(11-15)26-13-25-17/h5-11H,2-4,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKey PSDWRGDYARRBJR-UHFFFAOYSA-N
Molecular Weight 354.406 g/mol
SMILES N(C(C(NC1=CC=C(C=C1)CCCC)=O)=O)CC1=CC=2OCOC2C=C1