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cis-15-Tetracosenoic acid, 4,4-dimethyloxazoline (dmox) derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-15-Tetracosenoic acid, 4,4-dimethyloxazoline (dmox) derivative
SpectraBase Compound ID CmEmjHpSg7R
InChI InChI=1S/C28H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h11-12H,4-10,13-26H2,1-3H3/b12-11-
InChIKey JHOIBVDGYFJMIL-QXMHVHEDSA-N
Mol Weight 419.7 g/mol
Molecular Formula C28H53NO
Exact Mass 419.412715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eqcv324EUhv
Name cis-15-Tetracosenoic acid, 4,4-dimethyloxazoline (dmox) derivative
Comments Computed using HOSE algorithm
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Exact Mass 419.412715330 u
Formula C28H53NO
InChI InChI=1S/C28H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h11-12H,4-10,13-26H2,1-3H3/b12-11-
InChIKey JHOIBVDGYFJMIL-QXMHVHEDSA-N
Molecular Weight 419.738 g/mol
SMILES C=1(CCCCCCCCCCCCC\C=C/CCCCCCCC)OCC(N1)(C)C