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hexanoic acid, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester

View entire compound with spectra: 2 NMR

hexanoic acid, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester
SpectraBase Compound ID 2s7XqPJvuYV
InChI InChI=1S/C20H25NO4/c1-2-3-4-9-18(22)25-15-12-10-14(11-13-15)21-19(23)16-7-5-6-8-17(16)20(21)24/h10-13,16-17H,2-9H2,1H3
InChIKey MPOWNDHMCNZLNB-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5F8omQL5JOD
Name Hexanoic acid, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.178358285 u
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-2-3-4-9-18(22)25-15-12-10-14(11-13-15)21-19(23)16-7-5-6-8-17(16)20(21)24/h10-13,16-17H,2-9H2,1H3
InChIKey MPOWNDHMCNZLNB-UHFFFAOYSA-N
Molecular Weight 343.423 g/mol
SMILES CCCCCC(OC=1C=CC(N2C(C3CCCCC3C2=O)=O)=CC1)=O