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

View entire compound with spectra: 1 NMR

Pimelic acid, hexadecyl 3-methyl-2-pentyl ester
SpectraBase Compound ID EH9U9nGaGG
InChI InChI=1S/C29H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(30)23-20-19-21-24-29(31)33-27(4)26(3)6-2/h26-27H,5-25H2,1-4H3
InChIKey UEUPVRPMHVMQTJ-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmHRzPxIDT2
Name Pimelic acid, hexadecyl 3-methyl-2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(30)23-20-19-21-24-29(31)33-27(4)26(3)6-2/h26-27H,5-25H2,1-4H3
InChIKey UEUPVRPMHVMQTJ-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(OC(C(C)CC)C)(=O)CCCCCC(OCCCCCCCCCCCCCCCC)=O