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2-Phenylethyl (S,E)-2,3-dihydrofarnesoate
SpectraBase Compound ID APHCYD1IzaX
InChI InChI=1S/C23H34O2/c1-19(2)10-8-11-20(3)12-9-13-21(4)18-23(24)25-17-16-22-14-6-5-7-15-22/h5-7,10,12,14-15,21H,8-9,11,13,16-18H2,1-4H3/b20-12+/t21-/m0/s1
InChIKey KRIQMFJEFJOWQA-HNLWVNFGSA-N
Mol Weight 342.5 g/mol
Molecular Formula C23H34O2
Exact Mass 342.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ecie3p6HkzX
Name 2-Phenylethyl (S,E)-2,3-dihydrofarnesoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O2
InChI InChI=1S/C23H34O2/c1-19(2)10-8-11-20(3)12-9-13-21(4)18-23(24)25-17-16-22-14-6-5-7-15-22/h5-7,10,12,14-15,21H,8-9,11,13,16-18H2,1-4H3/b20-12+/t21-/m0/s1
InChIKey KRIQMFJEFJOWQA-HNLWVNFGSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202100372
Molecular Weight 342.523 g/mol
Optical Rotation [a]D25.0 = -3.12 (c = 1.25, CH2Cl2)
Reported Formula C23H34O2
SMILES C(C[C@@](CC(=O)OCCc1ccccc1)(C)[H])\C=C\(CCC=C(C)C)C
SPLASH splash10-0aor-6900000000-993da490f32aa219af68
Source of Spectrum CBC-22-SM10-(S)-8p
Wiley ID 1865296