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Sebacic acid, hex-4-yn-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hex-4-yn-3-yl tetradecyl ester
SpectraBase Compound ID FYK3AWhuQEA
InChI InChI=1S/C30H54O4/c1-4-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(6-3)24-5-2/h28H,4,6-23,25-27H2,1-3H3
InChIKey BFBBCICAZOZYNV-UHFFFAOYSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65MlgBasqjV
Name Sebacic acid, hex-4-yn-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-4-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(6-3)24-5-2/h28H,4,6-23,25-27H2,1-3H3
InChIKey BFBBCICAZOZYNV-UHFFFAOYSA-N
Molecular Weight 478.758 g/mol
SMILES C(OC(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)=O)(C#CC)CC