| SpectraBase Spectrum ID |
9oNZFLoZ3Sf |
| Name |
Ethyl (2S,3S)-2-methyl-6-propyl-2,3,4,5-tetrahydropyridine-3-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-/m0/s1 |
| InChIKey |
YHBFDTFUBWBCKC-ONGXEEELSA-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 = 182.2 (c = 0.69, CHCl3) |
| Quality |
1000 |
| Reported Formula |
C12H21NO2 |
| SMILES |
C1C[C@@]([C@@](N=C1CCC)(C)[H])(C(=O)OCC)[H] |
| SPLASH |
splash10-01qj-7900000000-13cb40afcb95d4679d61 |
| Sample Comments |
dr = 93:7 |
| Source of Spectrum |
ASC-365-SM152-(2S,3S)-5e (DOI: 10.1002/adsc.202300050) |
| Thin-Layer Chromatography |
0.36 (silica gel 60, EtOAc) |
| Wiley ID |
1909646 |
