For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pimelic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester
SpectraBase Compound ID EinxFy0vLTn
InChI InChI=1S/C27H52O5/c1-5-6-7-8-9-10-11-12-13-14-18-22-31-26(28)19-16-15-17-20-27(29)32-25(3)24(2)21-23-30-4/h24-25H,5-23H2,1-4H3
InChIKey DWANHPDLJLMTEU-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H52O5
Exact Mass 456.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LV3LTUl3gnP
Name Pimelic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.381474769 u
Formula C27H52O5
InChI InChI=1S/C27H52O5/c1-5-6-7-8-9-10-11-12-13-14-18-22-31-26(28)19-16-15-17-20-27(29)32-25(3)24(2)21-23-30-4/h24-25H,5-23H2,1-4H3
InChIKey DWANHPDLJLMTEU-UHFFFAOYSA-N
Molecular Weight 456.708 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCCCC)=O