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[(2R)-2-[6-(4-chlorophenoxy)hexyl]oxiran-2-yl]methyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate
SpectraBase Compound ID HQDhurbXxeb
InChI InChI=1S/C25H28ClF3O5/c1-31-24(25(27,28)29,19-9-5-4-6-10-19)22(30)33-17-23(18-34-23)15-7-2-3-8-16-32-21-13-11-20(26)12-14-21/h4-6,9-14H,2-3,7-8,15-18H2,1H3/t23-,24-/m0/s1
InChIKey LRHPWKKSDJZLLE-ZEQRLZLVSA-N
Mol Weight 500.94 g/mol
Molecular Formula C25H28ClF3O5
Exact Mass 500.157736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxJksTMDPBd
Name [(2R)-2-[6-(4-chlorophenoxy)hexyl]oxiran-2-yl]methyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28ClF3O5
InChI InChI=1S/C25H28ClF3O5/c1-31-24(25(27,28)29,19-9-5-4-6-10-19)22(30)33-17-23(18-34-23)15-7-2-3-8-16-32-21-13-11-20(26)12-14-21/h4-6,9-14H,2-3,7-8,15-18H2,1H3/t23-,24-/m0/s1
InChIKey LRHPWKKSDJZLLE-ZEQRLZLVSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a13
Molecular Weight 500.942 g/mol
Reported Formula C25H28(35)ClF3O5
SMILES c1cc(ccc1Cl)OCCCCCC[C@]1(COC([C@](c2ccccc2)(OC)C(F)(F)F)=O)CO1
SPLASH splash10-002r-0900020000-b7aa4d25e947f241a9ce
Source of Spectrum ARK-2004-126-9a
Thin-Layer Chromatography Rf = 0.35 (diethyl ether/petrol, 3:1)
Wiley ID 1875829