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Pimelic acid, heptadecyl 3-methyl-2-pentyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, heptadecyl 3-methyl-2-pentyl ester
SpectraBase Compound ID Ag5pkTTWbCm
InChI InChI=1S/C30H58O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-29(31)24-21-20-22-25-30(32)34-28(4)27(3)6-2/h27-28H,5-26H2,1-4H3
InChIKey NLXSTOSRPKERDN-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70Wow05BX4a
Name Pimelic acid, heptadecyl 3-methyl-2-pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-29(31)24-21-20-22-25-30(32)34-28(4)27(3)6-2/h27-28H,5-26H2,1-4H3
InChIKey NLXSTOSRPKERDN-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(OC(C(C)CC)C)(=O)CCCCCC(OCCCCCCCCCCCCCCCCC)=O