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(R)-(3-methylpent-1-en-3-yl)benzene
SpectraBase Compound ID K4yKM6WmRGW
InChI InChI=1S/C12H16/c1-4-12(3,5-2)11-9-7-6-8-10-11/h4,6-10H,1,5H2,2-3H3/t12-/m0/s1
InChIKey QPPYVAQQHDNLIM-LBPRGKRZSA-N
Mol Weight 160.26 g/mol
Molecular Formula C12H16
Exact Mass 160.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d0dXOfg4qF
Name (R)-(3-methylpent-1-en-3-yl)benzene
Carrier Gas Hydrogen (1.7 ml/min, 1.2 bar)
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Exact Mass 160.125200515 u
Formula C12H16
GC Column Macherey-Nagel Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C12H16/c1-4-12(3,5-2)11-9-7-6-8-10-11/h4,6-10H,1,5H2,2-3H3/t12-/m0/s1
InChIKey QPPYVAQQHDNLIM-LBPRGKRZSA-N
Instrument Name Agilent 5973 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601283
Molecular Weight 160.260 g/mol
Optical Rotation [a]D20 = -4.1 (c = 0.8 g/100 ml, CHCl3)
Quality 133
SMILES C1=CC(=CC=C1)[C@](CC)(C=C)C
SPLASH splash10-001i-2900000000-aeec0670a0403ce135d9
Sample Comments 44% ee
Source of Spectrum QE-22-SM52-52-1 (DOI: 10.1002/chem.201601283)
Thin-Layer Chromatography 0.9 (CyHex)
Wiley ID 1903375