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docasanoic acid, methyl ester

View entire compound with spectra: 7 NMR, 6 FTIR, and 31 MS (GC)

docasanoic acid, methyl ester
SpectraBase Compound ID JvdPJ7WGyit
InChI InChI=1S/C23H46O2/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/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiCv5ctp6v0
Name METHYL-DOCOSANOATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/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/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-UHFFFAOYSA-N
Literature Reference Author I.MANCINI,G.GUELLA,C.DEBITUS,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,77,51(1994)
Literature Reference DOI 10.1002/hlca.19940770108
Molecular Weight 354.617 g/mol
Solvent CDCl3
Source File Reference UWRK1960