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Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl ester
SpectraBase Compound ID Er8jOGppr1I
InChI InChI=1S/C21H32O5/c1-17(2)16-26-21(23)11-7-10-20(22)25-15-13-19(12-14-24-3)18-8-5-4-6-9-18/h4-6,8-9,17,19H,7,10-16H2,1-3H3
InChIKey BIHRAWDWJULMGB-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtjPAT7bxFD
Name Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-17(2)16-26-21(23)11-7-10-20(22)25-15-13-19(12-14-24-3)18-8-5-4-6-9-18/h4-6,8-9,17,19H,7,10-16H2,1-3H3
InChIKey BIHRAWDWJULMGB-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES COCCC(CCOC(CCCC(OCC(C)C)=O)=O)C1=CC=CC=C1