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Fatty acid (Erucic)

View entire compound with spectra: 5 NMR, 7 FTIR, and 7 MS (GC)

Fatty acid (Erucic)
SpectraBase Compound ID 4XWI08gVM6U
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-KTKRTIGZSA-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 ISBDJUBpz3I
Name cis-13-DOCOSENOIC ACID
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 358.8C/400mm
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-KTKRTIGZSA-N
Melting Point 31-33C
Molecular Weight 338.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms ERUCIC ACID 13-DOCOSENOIC ACID, cis-,