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Pimelic acid, 5-methoxy-3-methylpentyl tridecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 5-methoxy-3-methylpentyl tridecyl ester
SpectraBase Compound ID 2dX9JGwmXZv
InChI InChI=1S/C27H52O5/c1-4-5-6-7-8-9-10-11-12-13-17-22-31-26(28)18-15-14-16-19-27(29)32-24-21-25(2)20-23-30-3/h25H,4-24H2,1-3H3
InChIKey QKIUBPULJRPSLG-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H52O5
Exact Mass 456.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtayCii2lsH
Name Pimelic acid, 5-methoxy-3-methylpentyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O5
InChI InChI=1S/C27H52O5/c1-4-5-6-7-8-9-10-11-12-13-17-22-31-26(28)18-15-14-16-19-27(29)32-24-21-25(2)20-23-30-3/h25H,4-24H2,1-3H3
InChIKey QKIUBPULJRPSLG-UHFFFAOYSA-N
Molecular Weight 456.708 g/mol
SMILES C(CCCCCC(OCCC(CCOC)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-014i-8900000000-2592f3191c2beafee426
Source of Spectrum TIPS-2022-949-0
Wiley ID 1822466