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(S)-{2-[6-(4-Chloro-phenoxy)-hexyl]-oxiranyl}-methanol
SpectraBase Compound ID Esp9g8z13h6
InChI InChI=1S/C15H21ClO3/c16-13-5-7-14(8-6-13)18-10-4-2-1-3-9-15(11-17)12-19-15/h5-8,17H,1-4,9-12H2/t15-/m0/s1
InChIKey NMBAPQREPLNRTH-HNNXBMFYSA-N
Mol Weight 284.78 g/mol
Molecular Formula C15H21ClO3
Exact Mass 284.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE6QMYTRynT
Name (S)-{2-[6-(4-Chloro-phenoxy)-hexyl]-oxiranyl}-methanol
Appearance White solid
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Formula C15H21ClO3
InChI InChI=1S/C15H21ClO3/c16-13-5-7-14(8-6-13)18-10-4-2-1-3-9-15(11-17)12-19-15/h5-8,17H,1-4,9-12H2/t15-/m0/s1
InChIKey NMBAPQREPLNRTH-HNNXBMFYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a13
Molecular Weight 284.783 g/mol
Optical Rotation [a]D = 1.7 (c = 0.01, MeOH)
Reported Formula C15H21(35)ClO3
SMILES OC[C@@]1(CCCCCCOc2ccc(cc2)Cl)CO1
SPLASH splash10-003r-0950000000-2bf08c470675e1a25de2
Source of Spectrum ARK-2004-125-8a
Thin-Layer Chromatography Rf = 0.36 (ethyl acetate/petrol, 2:3)
Wiley ID 1875828