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(2E,4E,10Z)-N-(2-Methylpropyl)hexadeca-2,4,10-trienamide, N-methyl- (isomer 1)

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(2E,4E,10Z)-N-(2-Methylpropyl)hexadeca-2,4,10-trienamide, N-methyl- (isomer 1)
SpectraBase Compound ID LxgN1piZ21y
InChI InChI=1S/C21H37NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(4)19-20(2)3/h9-10,15-18,20H,5-8,11-14,19H2,1-4H3/b10-9-,16-15+,18-17+
InChIKey KSCMRXMBNMJJFU-WGVPSJFESA-N
Mol Weight 319.5 g/mol
Molecular Formula C21H37NO
Exact Mass 319.287515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6limeFk3zuF
Name (2E,4E,10Z)-N-(2-Methylpropyl)hexadeca-2,4,10-trienamide, N-methyl- (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.287514814 u
Formula C21H37NO
InChI InChI=1S/C21H37NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(4)19-20(2)3/h9-10,15-18,20H,5-8,11-14,19H2,1-4H3/b10-9-,16-15+,18-17+
InChIKey KSCMRXMBNMJJFU-WGVPSJFESA-N
Molecular Weight 319.533 g/mol
SMILES C(CC\C=C/CCCC\C=C\C=C\C(N(CC(C)C)C)=O)CC