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

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(2E,4E,6E,12Z)-Tetradeca-2,4,6,12-tetraen-8,10-diynoic acid - isobutyl amide
SpectraBase Compound ID Gc5Ys0hVPyf
InChI InChI=1S/C18H21NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,10-15,17H,16H2,1-3H3,(H,19,20)/b5-4-,11-10+,13-12+,15-14+
InChIKey WPEQVXWZTNLDRM-PPMOTMRESA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6cbdYpXypF
Name (2E,4E,6E,12Z)-Tetradeca-2,4,6,12-tetraen-8,10-diynoic acid - isobutyl amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.162314299 u
Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,10-15,17H,16H2,1-3H3,(H,19,20)/b5-4-,11-10+,13-12+,15-14+
InChIKey WPEQVXWZTNLDRM-PPMOTMRESA-N
Molecular Weight 267.372 g/mol
SMILES C(C#C\C=C/C)#C\C=C\C=C\C=C\C(NCC(C)C)=O