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Sebacic acid, di(non-5-yn-3-yl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(non-5-yn-3-yl) ester
SpectraBase Compound ID D1tvSjrZ7Z8
InChI InChI=1S/C28H46O4/c1-5-9-11-17-21-25(7-3)31-27(29)23-19-15-13-14-16-20-24-28(30)32-26(8-4)22-18-12-10-6-2/h25-26H,5-10,13-16,19-24H2,1-4H3
InChIKey HLAOCHLEWZVYHZ-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLxHiO8rxU0
Name Sebacic acid, di(non-5-yn-3-yl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-9-11-17-21-25(7-3)31-27(29)23-19-15-13-14-16-20-24-28(30)32-26(8-4)22-18-12-10-6-2/h25-26H,5-10,13-16,19-24H2,1-4H3
InChIKey HLAOCHLEWZVYHZ-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CC(OC(CCCCCCCCC(OC(CC)CC#CCCC)=O)=O)CC)#CCCC