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(2E,4E,6E,12Z)-Tetradeca-2,4,6,12-tetraen-8,10-diynoic acid - isopentyl amide

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(2E,4E,6E,12Z)-Tetradeca-2,4,6,12-tetraen-8,10-diynoic acid - isopentyl amide
SpectraBase Compound ID 2iNOV4CCDbO
InChI InChI=1S/C19H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(21)20-17-16-18(2)3/h4-5,10-15,18H,16-17H2,1-3H3,(H,20,21)/b5-4-,11-10+,13-12+,15-14+
InChIKey MUWVVXZTDXINSN-PPMOTMRESA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gm3e5MIedaR
Name (2E,4E,6E,12Z)-Tetradeca-2,4,6,12-tetraen-8,10-diynoic acid - isopentyl amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.177964364 u
Formula C19H23NO
InChI InChI=1S/C19H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(21)20-17-16-18(2)3/h4-5,10-15,18H,16-17H2,1-3H3,(H,20,21)/b5-4-,11-10+,13-12+,15-14+
InChIKey MUWVVXZTDXINSN-PPMOTMRESA-N
SMILES C(C#C\C=C/C)#C\C=C\C=C\C=C\C(=O)NCCC(C)C