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Methyl 12-oxooctadecanoate

Compound with spectra: 3 NMR, 2 FTIR, and 2 MS (GC)

Methyl 12-oxooctadecanoate
SpectraBase Compound ID 6PsTH7Im7Ge
InChI InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey XVSPEBNRFAFNAV-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C19H36O3
Exact Mass 312.266445 g/mol

View Spectrum of Methyl 12-oxooctadecanoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Va-0-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum EP-8053-0-0

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 303356
Solvent CDCl3

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 303356

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 303356
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 303356
Technique Melt
  • Octadecanoic acid, 12-oxo-, methyl ester
14-oxoeicosanoic acid, methyl ester
Methyl 17-oxotetratriacontanoate
Docosanoic acid, 13-oxo-, methyl ester
Eicosanoic acid, 11-oxo-, methyl ester
METHYL-11-OXO-OCTADECANOATE
Hexacosanoic acid, 9-oxo-, methyl ester
HEPTADECANOIC ACID, 12-OXO-, METHYL ESTER
Eicosanoic acid, 15-oxo-, methyl ester
METHYL-13-OXO-OCTADECANOATE
Docosanoic acid, 17-oxo-, methyl ester
Title Journal or Book Year
Deuterium isotope effects and assignment of 13C chemical shifts in spectra of methyl octadecanoate and the sixteen isomeric oxooctadecanoates Canadian Journal of Chemistry 1977
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