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Sebacic acid, tetrahydrofurfuryl tetradecyl ester

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Sebacic acid, tetrahydrofurfuryl tetradecyl ester
SpectraBase Compound ID 7XuuP9iwZ3u
InChI InChI=1S/C29H54O5/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-33-28(30)22-17-14-11-12-15-18-23-29(31)34-26-27-21-20-25-32-27/h27H,2-26H2,1H3
InChIKey JHCFILMPRSKGKK-UHFFFAOYSA-N
Mol Weight 482.7 g/mol
Molecular Formula C29H54O5
Exact Mass 482.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bCrjFPro0k
Name Sebacic acid, tetrahydrofurfuryl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.397124834 u
Formula C29H54O5
InChI InChI=1S/C29H54O5/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-33-28(30)22-17-14-11-12-15-18-23-29(31)34-26-27-21-20-25-32-27/h27H,2-26H2,1H3
InChIKey JHCFILMPRSKGKK-UHFFFAOYSA-N
Molecular Weight 482.746 g/mol
SMILES C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)=O