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Pentanedioic acid, 3-phenyl-2-(2-pyridinylcarbonyl)-, diethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pentanedioic acid, 3-phenyl-2-(2-pyridinylcarbonyl)-, diethyl ester
SpectraBase Compound ID 25AqvL1tcYN
InChI InChI=1S/C21H23NO5/c1-3-26-18(23)14-16(15-10-6-5-7-11-15)19(21(25)27-4-2)20(24)17-12-8-9-13-22-17/h5-13,16,19H,3-4,14H2,1-2H3
InChIKey CXZYXYWMABNKPL-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MyFyAIvEtd
Name Pentanedioic acid, 3-phenyl-2-(2-pyridinylcarbonyl)-, diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-3-26-18(23)14-16(15-10-6-5-7-11-15)19(21(25)27-4-2)20(24)17-12-8-9-13-22-17/h5-13,16,19H,3-4,14H2,1-2H3
InChIKey CXZYXYWMABNKPL-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C(C(CC(=O)OCC)C1=CC=CC=C1)(C(C1=NC=CC=C1)=O)C(=O)OCC