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(1S,2R,5R)-5-Methyl-2-((S)-2-(4-methylpent-3-enyl)oxiran-2-yl)cyclohexanol
SpectraBase Compound ID 1X3DW9xNEY3
InChI InChI=1S/C15H26O2/c1-11(2)5-4-8-15(10-17-15)13-7-6-12(3)9-14(13)16/h5,12-14,16H,4,6-10H2,1-3H3/t12-,13-,14+,15-/m1/s1
InChIKey GMGGHMSKPBANOW-APIJFGDWSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HOGFrsJBye
Name (1S,2R,5R)-5-Methyl-2-((S)-2-(4-methylpent-3-enyl)oxiran-2-yl)cyclohexanol
Appearance Colourless liquid
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Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-11(2)5-4-8-15(10-17-15)13-7-6-12(3)9-14(13)16/h5,12-14,16H,4,6-10H2,1-3H3/t12-,13-,14+,15-/m1/s1
InChIKey GMGGHMSKPBANOW-APIJFGDWSA-N
Instrument Name Agilent HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.228
Molecular Weight 238.371 g/mol
Optical Rotation [a]D = +34.2 (c = 1.3, CHCl3)
SMILES O[C@]1(C[C@@](CC[C@]1([C@@]1(CCC=C(C)C)CO1)[H])(C)[H])[H]
SPLASH splash10-014j-9010000000-daa55b695d7de043769d
Sample Comments 95% de
Source of Spectrum BJO-11-SM7-6
Thin-Layer Chromatography Rf = 0.32 (n-hexane/EtOAc, 8:2)
Wiley ID 1851633