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Pimelic acid, pentadecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, pentadecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 1Gp5OXF8SMT
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33-28(31)22-19-18-20-23-29(32)34-26-27(2)25-30(3,4)5/h27H,6-26H2,1-5H3
InChIKey VXIHKKKORHAFTN-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 ALv3BAx9nrh
Name Pimelic acid, pentadecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33-28(31)22-19-18-20-23-29(32)34-26-27(2)25-30(3,4)5/h27H,6-26H2,1-5H3
InChIKey VXIHKKKORHAFTN-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCCCCCCCCCC)=O