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cis-13-Docosenoic acid, 1:1-adduct with urea

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cis-13-Docosenoic acid, 1:1-adduct with urea
SpectraBase Compound ID kIFRzZttyO
InChI InChI=1S/C22H42O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2-1(3)4/h9-10H,2-8,11-21H2,1H3,(H,23,24);(H4,2,3,4)/b10-9-;
InChIKey NWCVYXBLXKPITK-KVVVOXFISA-N
Mol Weight 398.63 g/mol
Molecular Formula C23H46N2O3
Exact Mass 398.350843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCNmEaAKwz8
Name cis-13-Docosenoic acid, 1:1-adduct with urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.350843346 u
Formula C23H46N2O3
InChI InChI=1S/C22H42O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2-1(3)4/h9-10H,2-8,11-21H2,1H3,(H,23,24);(H4,2,3,4)/b10-9-;
InChIKey NWCVYXBLXKPITK-KVVVOXFISA-N
Molecular Weight 398.632 g/mol
SMILES NC(=O)N.OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC