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Pimelic acid, 3-(2-methoxyethyl)heptyl octyl ester
SpectraBase Compound ID 7OLsnuR7c6Q
InChI InChI=1S/C25H48O5/c1-4-6-8-9-10-14-20-29-24(26)16-12-11-13-17-25(27)30-22-19-23(15-7-5-2)18-21-28-3/h23H,4-22H2,1-3H3
InChIKey UNWBODITQRQZBH-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C25H48O5
Exact Mass 428.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvorMcHU8AP
Name Pimelic acid, 3-(2-methoxyethyl)heptyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.350174641 u
Formula C25H48O5
InChI InChI=1S/C25H48O5/c1-4-6-8-9-10-14-20-29-24(26)16-12-11-13-17-25(27)30-22-19-23(15-7-5-2)18-21-28-3/h23H,4-22H2,1-3H3
InChIKey UNWBODITQRQZBH-UHFFFAOYSA-N
Molecular Weight 428.654 g/mol
SMILES C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCCCCCCC)=O