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4-methoxyphenyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate

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4-methoxyphenyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate
SpectraBase Compound ID L0YbMUrMf6L
InChI InChI=1S/C23H21NO5/c1-28-17-8-10-18(11-9-17)29-23(27)13-4-6-16(7-5-13)24-21(25)19-14-2-3-15(12-14)20(19)22(24)26/h4-11,14-15,19-20H,2-3,12H2,1H3
InChIKey WUKOJNXTPPNJGS-UHFFFAOYSA-N
Mol Weight 391.42 g/mol
Molecular Formula C23H21NO5
Exact Mass 391.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4iLWzA0DPJ
Name 4-Methoxyphenyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.141972775 u
Formula C23H21NO5
InChI InChI=1S/C23H21NO5/c1-28-17-8-10-18(11-9-17)29-23(27)13-4-6-16(7-5-13)24-21(25)19-14-2-3-15(12-14)20(19)22(24)26/h4-11,14-15,19-20H,2-3,12H2,1H3
InChIKey WUKOJNXTPPNJGS-UHFFFAOYSA-N
Molecular Weight 391.423 g/mol
SMILES COC=1C=CC(OC(C2=CC=C(N3C(C4C5CCC(C4C3=O)C5)=O)C=C2)=O)=CC1