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Sebacic acid, decyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl tetradecyl ester
SpectraBase Compound ID Ia4vohie9u0
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-14-15-16-20-24-28-32-38-34(36)30-26-22-18-17-21-25-29-33(35)37-31-27-23-19-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey NIUUITXFRHPHKI-UHFFFAOYSA-N
Mol Weight 538.9 g/mol
Molecular Formula C34H66O4
Exact Mass 538.496111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwQJ1jQmZQI
Name Sebacic acid, decyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.496110601 u
Formula C34H66O4
InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-14-15-16-20-24-28-32-38-34(36)30-26-22-18-17-21-25-29-33(35)37-31-27-23-19-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey NIUUITXFRHPHKI-UHFFFAOYSA-N
Molecular Weight 538.898 g/mol
SMILES C(CCCCCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCC)=O