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Sebacic acid, oct-3-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, oct-3-yl pentadecyl ester
SpectraBase Compound ID 5ki5kKDBG7v
InChI InChI=1S/C33H64O4/c1-4-7-9-10-11-12-13-14-15-16-19-22-26-30-36-32(34)28-24-20-17-18-21-25-29-33(35)37-31(6-3)27-23-8-5-2/h31H,4-30H2,1-3H3
InChIKey NLCOSCYYCHUMFF-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DqriWVMi4I
Name Sebacic acid, oct-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-4-7-9-10-11-12-13-14-15-16-19-22-26-30-36-32(34)28-24-20-17-18-21-25-29-33(35)37-31(6-3)27-23-8-5-2/h31H,4-30H2,1-3H3
InChIKey NLCOSCYYCHUMFF-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCCCCCCCCCCCC)=O