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

View entire compound with spectra: 1 NMR

Pimelic acid, heptadecyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID 9KqWLTcx0Z3
InChI InChI=1S/C31H60O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-35-30(32)23-20-19-21-24-31(33)36-29(3)28(2)25-27-34-4/h28-29H,5-27H2,1-4H3
InChIKey LCMHOJRDANQBCT-UHFFFAOYSA-N
Mol Weight 512.8 g/mol
Molecular Formula C31H60O5
Exact Mass 512.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jdZdLXHiLe
Name Pimelic acid, heptadecyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.444075027 u
Formula C31H60O5
InChI InChI=1S/C31H60O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-35-30(32)23-20-19-21-24-31(33)36-29(3)28(2)25-27-34-4/h28-29H,5-27H2,1-4H3
InChIKey LCMHOJRDANQBCT-UHFFFAOYSA-N
Molecular Weight 512.816 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCCCCCCCC)=O