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Pimelic acid, 4-methyl-2-pentyl octadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methyl-2-pentyl octadecyl ester
SpectraBase Compound ID CGpDcuKg9dY
InChI InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-30(32)24-21-20-22-25-31(33)35-29(4)27-28(2)3/h28-29H,5-27H2,1-4H3
InChIKey NIVYEDIIQRIRPV-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I49aTLBwfPD
Name Pimelic acid, 4-methyl-2-pentyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-30(32)24-21-20-22-25-31(33)35-29(4)27-28(2)3/h28-29H,5-27H2,1-4H3
InChIKey NIVYEDIIQRIRPV-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(OCCCCCCCCCCCCCCCCCC)(=O)CCCCCC(OC(CC(C)C)C)=O