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Pimelic acid, ethyl pentyl ester
SpectraBase Compound ID 2lSrKvhsvcv
InChI InChI=1S/C14H26O4/c1-3-5-9-12-18-14(16)11-8-6-7-10-13(15)17-4-2/h3-12H2,1-2H3
InChIKey DVSYQMUZHLOEMY-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjCBhbmaFSm
Name Pimelic acid, ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-3-5-9-12-18-14(16)11-8-6-7-10-13(15)17-4-2/h3-12H2,1-2H3
InChIKey DVSYQMUZHLOEMY-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(OCCCCC)(=O)CCCCCC(OCC)=O