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Pimelic acid, octadecyl pentyl ester
SpectraBase Compound ID 99gz1z4JXCd
InChI InChI=1S/C30H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-34-30(32)26-22-20-21-25-29(31)33-27-23-6-4-2/h3-28H2,1-2H3
InChIKey QHWBXXKWWGKIGK-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 F0sehde4Lq0
Name Pimelic acid, octadecyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-34-30(32)26-22-20-21-25-29(31)33-27-23-6-4-2/h3-28H2,1-2H3
InChIKey QHWBXXKWWGKIGK-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(OCCCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCCCCC)=O