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Pimelic acid, 4-methoxybenzyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methoxybenzyl undecyl ester
SpectraBase Compound ID 2NpBosUXNFd
InChI InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-14-21-30-25(27)15-12-11-13-16-26(28)31-22-23-17-19-24(29-2)20-18-23/h17-20H,3-16,21-22H2,1-2H3
InChIKey DZZCXZOOABDCHC-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnhDuLeI9uD
Name Pimelic acid, 4-methoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-14-21-30-25(27)15-12-11-13-16-26(28)31-22-23-17-19-24(29-2)20-18-23/h17-20H,3-16,21-22H2,1-2H3
InChIKey DZZCXZOOABDCHC-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(OCC1=CC=C(C=C1)OC)(=O)CCCCCC(OCCCCCCCCCCC)=O