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Deca-2,4-dienoic acid - 2'-phenylethyl amide
SpectraBase Compound ID 84t1sw2K2cu
InChI InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
InChIKey JDDRCLDJHAZTTI-WXGDJGGUSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7awcYwbNml
Name Deca-2,4-dienoic acid - 2'-phenylethyl amide
Comments Computed using HOSE algorithm
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Exact Mass 271.193614428 u
Formula C18H25NO
InChI InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
InChIKey JDDRCLDJHAZTTI-WXGDJGGUSA-N
Molecular Weight 271.404 g/mol
SMILES C(\C=C\C=C\CCCCC)(=O)NCCC=1C=CC=CC1