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Pimelic acid, di(3-(2-methoxyethyl)nonyl) ester

View entire compound with spectra: 1 NMR

Pimelic acid, di(3-(2-methoxyethyl)nonyl) ester
SpectraBase Compound ID 3oYzJWetEgq
InChI InChI=1S/C31H60O6/c1-5-7-9-12-16-28(20-24-34-3)22-26-36-30(32)18-14-11-15-19-31(33)37-27-23-29(21-25-35-4)17-13-10-8-6-2/h28-29H,5-27H2,1-4H3
InChIKey JXBKIBLAMDCWBC-UHFFFAOYSA-N
Mol Weight 528.8 g/mol
Molecular Formula C31H60O6
Exact Mass 528.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67i1boRrIFW
Name Pimelic acid, di(3-(2-methoxyethyl)nonyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.438989646 u
Formula C31H60O6
InChI InChI=1S/C31H60O6/c1-5-7-9-12-16-28(20-24-34-3)22-26-36-30(32)18-14-11-15-19-31(33)37-27-23-29(21-25-35-4)17-13-10-8-6-2/h28-29H,5-27H2,1-4H3
InChIKey JXBKIBLAMDCWBC-UHFFFAOYSA-N
Molecular Weight 528.815 g/mol
SMILES C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCC(CCCCCC)CCOC)=O