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Methyl (2S,3R,6R)-2-isopropyl-6-methylpiperidine-3-carboxylate
SpectraBase Compound ID DSUWPMzKSg3
InChI InChI=1S/C11H21NO2/c1-7(2)10-9(11(13)14-4)6-5-8(3)12-10/h7-10,12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKey RYJYZUINHRVQPZ-BBBLOLIVSA-N
Mol Weight 199.29 g/mol
Molecular Formula C11H21NO2
Exact Mass 199.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJqCCQA7tgu
Name Methyl (2S,3R,6R)-2-isopropyl-6-methylpiperidine-3-carboxylate
Appearance Colourless liquid
Carrier Gas Helium (0.7 mL/min)
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Exact Mass 199.157228918 u
Formula C11H21NO2
GC Column HP-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C11H21NO2/c1-7(2)10-9(11(13)14-4)6-5-8(3)12-10/h7-10,12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKey RYJYZUINHRVQPZ-BBBLOLIVSA-N
Inlet Type Split (90:1)
Instrument Name Agilent 7890A GC-5975C
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202300050
Molecular Weight 199.294 g/mol
Optical Rotation [a]D20 = 36.5 (c = 0.40, CHCl3)
Quality 640
Reported Formula C11H21NO2
SMILES N1[C@@](CC[C@]([C@@]1(C(C)C)[H])(C(=O)OC)[H])(C)[H]
SPLASH splash10-0a4i-6900000000-45b71fd96e6ffbd52e6d
Source of Spectrum ASC-365-SM116-(2S,3R,6R)-4b (DOI: 10.1002/adsc.202300050)
Thin-Layer Chromatography 0.49 (silica gel 60, cyclohexane/MTBE, 1:1)
Wiley ID 1909645