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Pimelic acid, 5-methoxy-3-phenylpentyl isobutyl ester
SpectraBase Compound ID AqLcyQkWVhW
InChI InChI=1S/C23H36O5/c1-19(2)18-28-23(25)13-9-5-8-12-22(24)27-17-15-21(14-16-26-3)20-10-6-4-7-11-20/h4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3
InChIKey QPTMGXLKYFUEEL-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxD9PXP1q33
Name Pimelic acid, 5-methoxy-3-phenylpentyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-19(2)18-28-23(25)13-9-5-8-12-22(24)27-17-15-21(14-16-26-3)20-10-6-4-7-11-20/h4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3
InChIKey QPTMGXLKYFUEEL-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCC(C)C)=O
SPLASH splash10-002f-2900000000-4c7ddc91e11cb4907a17
Source of Spectrum TIPS-2022-912-0
Wiley ID 1822429