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(2R,3R)-1,4-Di(cyclohex-1-en-1-yl)-2,3-dimethylbutane-1,4-dione
SpectraBase Compound ID KjDJbugnUqx
InChI InChI=1S/C18H26O2/c1-13(17(19)15-9-5-3-6-10-15)14(2)18(20)16-11-7-4-8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3/t13-,14-/m1/s1
InChIKey ZWCUOBJIAFVIHF-ZIAGYGMSSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14YRk53v4DF
Name (R,R)-1,4-Di(cyclohex-1-en-1-yl)-2,3-dimethylbutane-1,4-dione
Appearance Yellow oil
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Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-13(17(19)15-9-5-3-6-10-15)14(2)18(20)16-11-7-4-8-12-16/h9,11,13-14H,3-8,10,12H2,1-2H3/t13-,14-/m1/s1
InChIKey ZWCUOBJIAFVIHF-ZIAGYGMSSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901043
Molecular Weight 274.404 g/mol
Optical Rotation [a]D25 = +90.6 (c = 1.41, CHCl3)
Quality 133
Reported Formula C18H26O2
SMILES C1(=CCCCC1)C([C@@]([C@](C(=O)C1=CCCCC1)(C)[H])(C)[H])=O
SPLASH splash10-0a4i-2920000000-3e4f2916d1a34d51fc93
Sample Comments >99 % ee
Source of Spectrum K1-2019-6257-5d (DOI: 10.1002/ejoc.201901043)
Thin-Layer Chromatography 0.2 (cyclohexane/EtOAc, 20:1)
Wiley ID 1892235