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3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide

View entire compound with spectra: 2 NMR

3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide
SpectraBase Compound ID LmQZaOVxJlP
InChI InChI=1S/C20H22N2O4/c1-26-15-4-2-3-14(11-15)21-16(23)9-10-22-19(24)17-12-5-6-13(8-7-12)18(17)20(22)25/h2-6,11-13,17-18H,7-10H2,1H3,(H,21,23)
InChIKey IMJYJORTQOEMRS-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 7ST7d7G0Wrq
Name 3-(1,3-Dioxo-3A,4,7,7A-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide
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/c1-26-15-4-2-3-14(11-15)21-16(23)9-10-22-19(24)17-12-5-6-13(8-7-12)18(17)20(22)25/h2-6,11-13,17-18H,7-10H2,1H3,(H,21,23)
InChIKey IMJYJORTQOEMRS-UHFFFAOYSA-N
Molecular Weight 354.406 g/mol
SMILES N(C(CCN1C(C2C3C=CC(C2C1=O)CC3)=O)=O)C1=CC(OC)=CC=C1