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9,11,13-Octadecatrienoic acid, 1:1 adduct with urea (all cis)

View entire compound with spectra: 1 Raman

9,11,13-Octadecatrienoic acid, 1:1 adduct with urea (all cis)
SpectraBase Compound ID rHTkREYnfA
InChI InChI=1S/C18H30O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h5-10H,2-4,11-17H2,1H3,(H,19,20);(H4,2,3,4)/b6-5-,8-7-,10-9-;
InChIKey GROVMEYVNCBWQG-OCJNRBNLSA-N
Mol Weight 338.49 g/mol
Molecular Formula C19H34N2O3
Exact Mass 338.256943 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EmXMGYqmZQn
Name 9,11,13-Octadecatrienoic acid, 1:1 adduct with urea (all cis)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.256942960 u
Formula C19H34N2O3
InChI InChI=1S/C18H30O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h5-10H,2-4,11-17H2,1H3,(H,19,20);(H4,2,3,4)/b6-5-,8-7-,10-9-;
InChIKey GROVMEYVNCBWQG-OCJNRBNLSA-N
Molecular Weight 338.492 g/mol
SMILES NC(=O)N.OC(CCCCCCC\C=C/C=C\C=C/CCCC)=O
Spectrum/Structure Validation Score (Raman) 0.794444