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trans-13-Docosenoic acid

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

trans-13-Docosenoic acid
SpectraBase Compound ID qnOAEG6B2i
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
InChIKey DPUOLQHDNGRHBS-MDZDMXLPSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIidXNgprBo
Name trans-13-DOCOSENOIC ACID
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 256C/10mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O2
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
InChIKey DPUOLQHDNGRHBS-MDZDMXLPSA-N
Melting Point 59.7C
Molecular Weight 338.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms BRASSIDIC ACID DOCOSENOIC ACID, trans-13-,