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3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N-(2-methylphenyl)propanamide
SpectraBase Compound ID BqaEiMefoe6
InChI InChI=1S/C19H20N2O3/c1-11-4-2-3-5-14(11)20-15(22)8-9-21-18(23)16-12-6-7-13(10-12)17(16)19(21)24/h2-7,12-13,16-17H,8-10H2,1H3,(H,20,22)
InChIKey HZMJPOIGECOQOR-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C19H20N2O3
Exact Mass 324.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdU8OUvm0D5
Name 3-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N-(2-methylphenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.147392509 u
Formula C19H20N2O3
InChI InChI=1S/C19H20N2O3/c1-11-4-2-3-5-14(11)20-15(22)8-9-21-18(23)16-12-6-7-13(10-12)17(16)19(21)24/h2-7,12-13,16-17H,8-10H2,1H3,(H,20,22)
InChIKey HZMJPOIGECOQOR-UHFFFAOYSA-N
Molecular Weight 324.380 g/mol
SMILES N(C(CCN1C(C2C3C=CC(C2C1=O)C3)=O)=O)C=1C(C)=CC=CC1