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Octacosanoic acid, pyrrolidide
SpectraBase Compound ID DJuzVU0GhrG
InChI InChI=1S/C32H63NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h2-31H2,1H3
InChIKey FZMBLOHSCSDJPA-UHFFFAOYSA-N
Mol Weight 477.9 g/mol
Molecular Formula C32H63NO
Exact Mass 477.490966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCE4b0qg6xF
Name Octacosanoic acid, pyrrolidide
Comments Computed using HOSE algorithm
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Exact Mass 477.490965652 u
Formula C32H63NO
InChI InChI=1S/C32H63NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h2-31H2,1H3
InChIKey FZMBLOHSCSDJPA-UHFFFAOYSA-N
Molecular Weight 477.862 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O