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Pimelic acid, 5-methoxy-3-methylpentyl octyl ester
SpectraBase Compound ID GNGmhz4kS1O
InChI InChI=1S/C22H42O5/c1-4-5-6-7-8-12-17-26-21(23)13-10-9-11-14-22(24)27-19-16-20(2)15-18-25-3/h20H,4-19H2,1-3H3
InChIKey XCQMXEQVQYMYEP-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C22H42O5
Exact Mass 386.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sNkqMycP5A
Name Pimelic acid, 5-methoxy-3-methylpentyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O5
InChI InChI=1S/C22H42O5/c1-4-5-6-7-8-12-17-26-21(23)13-10-9-11-14-22(24)27-19-16-20(2)15-18-25-3/h20H,4-19H2,1-3H3
InChIKey XCQMXEQVQYMYEP-UHFFFAOYSA-N
Molecular Weight 386.573 g/mol
SMILES C(CCCCCC(OCCC(CCOC)C)=O)(OCCCCCCCC)=O
SPLASH splash10-014i-9600000000-c3cbf511f1b608ff317a
Source of Spectrum TIPS-2022-944-0
Wiley ID 1822461