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methyl (2S)-2-[4-(2-fluorophenyl)phenoxy]-3-phenyl-propanoate
SpectraBase Compound ID ISOfEHcnWHa
InChI InChI=1S/C22H19FO3/c1-25-22(24)21(15-16-7-3-2-4-8-16)26-18-13-11-17(12-14-18)19-9-5-6-10-20(19)23/h2-14,21H,15H2,1H3/t21-/m0/s1
InChIKey VLWNIMBEZGSMBN-NRFANRHFSA-N
Mol Weight 350.39 g/mol
Molecular Formula C22H19FO3
Exact Mass 350.131823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ggRdtN6cS
Name methyl (2S)-2-[4-(2-fluorophenyl)phenoxy]-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FO3
InChI InChI=1S/C22H19FO3/c1-25-22(24)21(15-16-7-3-2-4-8-16)26-18-13-11-17(12-14-18)19-9-5-6-10-20(19)23/h2-14,21H,15H2,1H3/t21-/m0/s1
InChIKey VLWNIMBEZGSMBN-NRFANRHFSA-N
Instrument Name HP GC/MS 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1021/jm301018z
Molecular Weight 350.389 g/mol
SMILES c1(F)c(cccc1)-c1ccc(cc1)O[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0uki-0906000000-d06d81a738016cecf91e
Source of Spectrum AF-56-SM5-5-5
Wiley ID 1854395