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Sebacic acid, tetrahydrofurfuryl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, tetrahydrofurfuryl tridecyl ester
SpectraBase Compound ID 7kHZS0GQWxV
InChI InChI=1S/C28H52O5/c1-2-3-4-5-6-7-8-9-12-15-18-23-32-27(29)21-16-13-10-11-14-17-22-28(30)33-25-26-20-19-24-31-26/h26H,2-25H2,1H3
InChIKey CSDZPVKESHUTPY-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C28H52O5
Exact Mass 468.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWPP1OJlYQE
Name Sebacic acid, tetrahydrofurfuryl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.381474769 u
Formula C28H52O5
InChI InChI=1S/C28H52O5/c1-2-3-4-5-6-7-8-9-12-15-18-23-32-27(29)21-16-13-10-11-14-17-22-28(30)33-25-26-20-19-24-31-26/h26H,2-25H2,1H3
InChIKey CSDZPVKESHUTPY-UHFFFAOYSA-N
Molecular Weight 468.719 g/mol
SMILES C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCCCCCC)=O)=O