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N-(benzo[d][1,3]dioxol-5-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)propanamide
SpectraBase Compound ID AtNw2mF9AvE
InChI InChI=1S/C20H20N2O5/c23-16(21-13-5-6-14-15(9-13)27-10-26-14)7-8-22-19(24)17-11-1-2-12(4-3-11)18(17)20(22)25/h1-2,5-6,9,11-12,17-18H,3-4,7-8,10H2,(H,21,23)
InChIKey ULZHQMURVVZPHP-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C20H20N2O5
Exact Mass 368.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j2xp9No9Wa
Name N-(Benzo[D][1,3]dioxol-5-yl)-3-(1,3-dioxo-3A,4,7,7A-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.137221747 u
Formula C20H20N2O5
InChI InChI=1S/C20H20N2O5/c23-16(21-13-5-6-14-15(9-13)27-10-26-14)7-8-22-19(24)17-11-1-2-12(4-3-11)18(17)20(22)25/h1-2,5-6,9,11-12,17-18H,3-4,7-8,10H2,(H,21,23)
InChIKey ULZHQMURVVZPHP-UHFFFAOYSA-N
Molecular Weight 368.389 g/mol
SMILES N(C(CCN1C(C2C3C=CC(C2C1=O)CC3)=O)=O)C1=CC=2OCOC2C=C1