For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Octacosa-12,14,16-triene-10,18-diynedioic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Octacosa-12,14,16-triene-10,18-diynedioic acid
SpectraBase Compound ID Ezs3RuiacGU
InChI InChI=1S/C28H40O4/c29-27(30)25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(31)32/h1-6H,11-26H2,(H,29,30)(H,31,32)/b2-1+,5-3+,6-4+
InChIKey ULUVWRXYSKJXPA-CRQXNEITSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GQVgp4q4EDs
Name Octacosa-12,14,16-triene-10,18-diynedioic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c29-27(30)25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(31)32/h1-6H,11-26H2,(H,29,30)(H,31,32)/b2-1+,5-3+,6-4+
InChIKey ULUVWRXYSKJXPA-CRQXNEITSA-N
Molecular Weight 440.624 g/mol
SMILES C(CCCCCCCCC#C\C=C\C=C\C=C\C#CCCCCCCCCC(=O)O)(=O)O