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Pimelic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Pimelic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID 8WNpaFq2QC2
InChI InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-17-21-30-25(27)18-15-14-16-19-26(28)31-24(3)23(2)20-22-29-4/h23-24H,5-22H2,1-4H3
InChIKey QIEALWZDKSJBAV-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C26H50O5
Exact Mass 442.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHmzKdecQ2Q
Name Pimelic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.365824705 u
Formula C26H50O5
InChI InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-17-21-30-25(27)18-15-14-16-19-26(28)31-24(3)23(2)20-22-29-4/h23-24H,5-22H2,1-4H3
InChIKey QIEALWZDKSJBAV-UHFFFAOYSA-N
Molecular Weight 442.681 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCCC)=O