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Docosyl trans-3-hydroxyferulate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Docosyl trans-3-hydroxyferulate
SpectraBase Compound ID BJNxF01D9YN
InChI InChI=1S/C32H54O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-31(34)24-23-28-26-29(33)32(35)30(27-28)36-2/h23-24,26-27,33,35H,3-22,25H2,1-2H3/b24-23+
InChIKey XDSBISDVFDHVPY-WCWDXBQESA-N
Mol Weight 518.8 g/mol
Molecular Formula C32H54O5
Exact Mass 518.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI8TTlzrBhq
Name Docosyl trans-3-hydroxyferulate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.397124834 u
Formula C32H54O5
InChI InChI=1S/C32H54O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-31(34)24-23-28-26-29(33)32(35)30(27-28)36-2/h23-24,26-27,33,35H,3-22,25H2,1-2H3/b24-23+
InChIKey XDSBISDVFDHVPY-WCWDXBQESA-N
Molecular Weight 518.779 g/mol
SMILES C=1(C(=CC(\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCC)=CC1OC)O)O