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2,4-Dimethyl-6-(20Z-nonacosenyl)phenol

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2,4-Dimethyl-6-(20Z-nonacosenyl)phenol
SpectraBase Compound ID 5DIomnaXXuJ
InChI InChI=1S/C37H66O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-35(39-2)33-36(40-3)37(34)38/h11-12,32-33,38H,4-10,13-31H2,1-3H3/b12-11-
InChIKey GDRWVQRIZJGLMC-QXMHVHEDSA-N
Mol Weight 558.9 g/mol
Molecular Formula C37H66O3
Exact Mass 558.501196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUcBF7VcIFI
Name 2,4-Dimethyl-6-(20Z-nonacosenyl)phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.501195982 u
Formula C37H66O3
InChI InChI=1S/C37H66O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-35(39-2)33-36(40-3)37(34)38/h11-12,32-33,38H,4-10,13-31H2,1-3H3/b12-11-
InChIKey GDRWVQRIZJGLMC-QXMHVHEDSA-N
Molecular Weight 558.932 g/mol
SMILES C(CCCCC\C=C/CCCCCCCCCCCCCCCCCCCc1cc(OC)cc(OC)c1O)CC