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Pimelic acid, 5-methoxy-3-phenylpentyl isopropyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 5-methoxy-3-phenylpentyl isopropyl ester
SpectraBase Compound ID B6MZfZP6ggS
InChI InChI=1S/C22H34O5/c1-18(2)27-22(24)13-9-5-8-12-21(23)26-17-15-20(14-16-25-3)19-10-6-4-7-11-19/h4,6-7,10-11,18,20H,5,8-9,12-17H2,1-3H3
InChIKey JHCZFMKKPMMWBQ-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EONPLc0W0TN
Name Pimelic acid, 5-methoxy-3-phenylpentyl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-18(2)27-22(24)13-9-5-8-12-21(23)26-17-15-20(14-16-25-3)19-10-6-4-7-11-19/h4,6-7,10-11,18,20H,5,8-9,12-17H2,1-3H3
InChIKey JHCZFMKKPMMWBQ-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OC(C)C)=O
SPLASH splash10-002f-2900000000-19d7ccb992e85a62cc9d
Source of Spectrum TIPS-2022-911-0
Wiley ID 1822428