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Docos-(11)-enoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Docos-(11)-enoate <methyl->
SpectraBase Compound ID EBudLddOo0
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h12-13H,3-11,14-22H2,1-2H3/b13-12+
InChIKey QIZZORAOGOPHQF-OUKQBFOZSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FZDpeXvfHJS
Name Docos-(11)-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h12-13H,3-11,14-22H2,1-2H3/b13-12+
InChIKey QIZZORAOGOPHQF-OUKQBFOZSA-N
Molecular Weight 352.603 g/mol
SMILES C(CCCCCCCCC\C=C\CCCCCCCCCC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962321