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2-(4-(morpholine-4-carbonyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

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2-(4-(morpholine-4-carbonyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
SpectraBase Compound ID DjU38MDjHq0
InChI InChI=1S/C20H20N2O4/c23-18(21-7-9-26-10-8-21)12-3-5-15(6-4-12)22-19(24)16-13-1-2-14(11-13)17(16)20(22)25/h1-6,13-14,16-17H,7-11H2
InChIKey TXEAKGNGVYRGGV-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGvGaBHv7J7
Name 2-(4-(Morpholine-4-carbonyl)phenyl)-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c23-18(21-7-9-26-10-8-21)12-3-5-15(6-4-12)22-19(24)16-13-1-2-14(11-13)17(16)20(22)25/h1-6,13-14,16-17H,7-11H2
InChIKey TXEAKGNGVYRGGV-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES C1CN(C(C=2C=CC(N3C(C4C5C=CC(C4C3=O)C5)=O)=CC2)=O)CCO1