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

View entire compound with spectra: 2 NMR

ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-(4-ethylphenyl)-
SpectraBase Compound ID 5RryEOmEbV7
InChI InChI=1S/C18H18N2O4/c1-2-12-3-6-14(7-4-12)20-18(22)17(21)19-10-13-5-8-15-16(9-13)24-11-23-15/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKey QSVDUFBSYVQKOV-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9krHL0U6yfB
Name Ethanediamide, N~1~-(1,3-benzodioxol-5-ylmethyl)-N~2~-(4-ethylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.126657064 u
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-2-12-3-6-14(7-4-12)20-18(22)17(21)19-10-13-5-8-15-16(9-13)24-11-23-15/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKey QSVDUFBSYVQKOV-UHFFFAOYSA-N
SMILES N(C(C(NC=1C=CC(=CC1)CC)=O)=O)CC1=CC=2OCOC2C=C1