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(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one
SpectraBase Compound ID 3yFHlTR9dAt
InChI InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-15-21(24)16-13-12-14-20-17-18-22(25)23(19-20)26-2/h13,16-19,25H,3-12,14-15H2,1-2H3/b16-13+
InChIKey ZRRQCKQGNSJPPU-DTQAZKPQSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jFpC51qWGe
Name (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-15-21(24)16-13-12-14-20-17-18-22(25)23(19-20)26-2/h13,16-19,25H,3-12,14-15H2,1-2H3/b16-13+
InChIKey ZRRQCKQGNSJPPU-DTQAZKPQSA-N
Molecular Weight 360.538 g/mol
SMILES C(C\C=C\C(CCCCCCCCCCC)=O)C1=CC(=C(C=C1)O)OC