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2,4,14-Eicosatrienoic acid isobutylamide, tms, (E,E,Z)
SpectraBase Compound ID 4x4FFalIrHo
InChI InChI=1S/C27H51NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)28(25-26(2)3)30(4,5)6/h11-12,21-24,26H,7-10,13-20,25H2,1-6H3/b12-11-,22-21+,24-23+
InChIKey GFTVCHRDPUCTFV-LFUDRLCBSA-N
Mol Weight 433.8 g/mol
Molecular Formula C27H51NOSi
Exact Mass 433.373992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OhOfltvmAq
Name 2,4,14-Eicosatrienoic acid isobutylamide, tms, (E,E,Z)
Comments Computed using HOSE algorithm
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Exact Mass 433.373991800 u
Formula C27H51NOSi
InChI InChI=1S/C27H51NOSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)28(25-26(2)3)30(4,5)6/h11-12,21-24,26H,7-10,13-20,25H2,1-6H3/b12-11-,22-21+,24-23+
InChIKey GFTVCHRDPUCTFV-LFUDRLCBSA-N
Molecular Weight 433.796 g/mol
SMILES C(CN(C(\C=C\C=C\CCCCCCCC\C=C/CCCCC)=O)[Si](C)(C)C)(C)C