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Sebacic acid, tetrahydrofurfuryl pentadecyl ester
SpectraBase Compound ID D6qLZtuPIw2
InChI InChI=1S/C30H56O5/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-25-34-29(31)23-18-15-12-13-16-19-24-30(32)35-27-28-22-21-26-33-28/h28H,2-27H2,1H3
InChIKey RRVLJVZSTLPRSC-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C30H56O5
Exact Mass 496.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YIeuW8vepC
Name Sebacic acid, tetrahydrofurfuryl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.412774898 u
Formula C30H56O5
InChI InChI=1S/C30H56O5/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-25-34-29(31)23-18-15-12-13-16-19-24-30(32)35-27-28-22-21-26-33-28/h28H,2-27H2,1H3
InChIKey RRVLJVZSTLPRSC-UHFFFAOYSA-N
Molecular Weight 496.773 g/mol
SMILES C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCCCCCCCC)=O)=O