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5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-
SpectraBase Compound ID 988XOrFt4aN
InChI InChI=1S/C23H34O3/c1-18(14-16-20(3)24)10-8-9-11-19(2)15-17-21(4)26-23(25)22-12-6-5-7-13-22/h5-7,10-13,20-21,24H,8-9,14-17H2,1-4H3/b18-10+,19-11+/t20-,21-/m0/s1
InChIKey CQOKCNZCYXKGGW-VWDLUSOTSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzvgJJD69Hb
Name 5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-18(14-16-20(3)24)10-8-9-11-19(2)15-17-21(4)26-23(25)22-12-6-5-7-13-22/h5-7,10-13,20-21,24H,8-9,14-17H2,1-4H3/b18-10+,19-11+/t20-,21-/m0/s1
InChIKey CQOKCNZCYXKGGW-VWDLUSOTSA-N
Molecular Weight 358.522 g/mol
SMILES C(O[C@](CC\C(=C\CC\C=C\(CC[C@@](O)(C)[H])C)C)(C)[H])(=O)C1=CC=CC=C1