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Ethyl (2R,3S)-2-methyl-6-propyl-2,3,4,5-tetrahydropyridine3-carboxylate
SpectraBase Compound ID EgGU7IH0Dx8
InChI InChI=1S/C12H21NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKey YHBFDTFUBWBCKC-KOLCDFICSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hCuw8oNk9v
Name Ethyl (2R,3S)-2-methyl-6-propyl-2,3,4,5-tetrahydropyridine3-carboxylate
Appearance Yellowish liquid
Carrier Gas Helium (0.7 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.157228918 u
Formula C12H21NO2
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/C12H21NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKey YHBFDTFUBWBCKC-KOLCDFICSA-N
Inlet Type Split (90:1)
Instrument Name Agilent 7890A GC-5975C
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202300050
Molecular Weight 211.305 g/mol
Optical Rotation [a]D20 = +11.9 (c = 1.02, CHCl3)
Quality 1000
Reported Formula C12H21NO2
SMILES C1C[C@@]([C@](N=C1CCC)(C)[H])(C(=O)OCC)[H]
SPLASH splash10-02as-6900000000-49760e8b31126ccddc94
Sample Comments dr = 75:25
Source of Spectrum ASC-365-SM146-(2R,3S)-5e (DOI: 10.1002/adsc.202300050)
Thin-Layer Chromatography 0.44 (silica gel 60, EtOAc)
Wiley ID 1909641