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

View entire compound with spectra: 1 NMR

Sebacic acid, hex-4-yn-3-yl tridecyl ester
SpectraBase Compound ID 5ejsn1SCZKg
InChI InChI=1S/C29H52O4/c1-4-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-20-17-14-15-18-21-25-29(31)33-27(6-3)23-5-2/h27H,4,6-22,24-26H2,1-3H3
InChIKey CESWZXJZBNALQM-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVwEG7Tch61
Name Sebacic acid, hex-4-yn-3-yl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-4-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-20-17-14-15-18-21-25-29(31)33-27(6-3)23-5-2/h27H,4,6-22,24-26H2,1-3H3
InChIKey CESWZXJZBNALQM-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C(OC(CCCCCCCCC(OCCCCCCCCCCCCC)=O)=O)(C#CC)CC