| SpectraBase Spectrum ID |
3L6kwrnh74f |
| Name |
Ethyl (2S,3S,6S)-2-methyl-6-propylpiperidine-3-carboxylate |
| Appearance |
Pale-yellowish liquid |
| Carrier Gas |
Helium (0.7 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.172878983 u |
| Formula |
C12H23NO2 |
| 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/C12H23NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h9-11,13H,4-8H2,1-3H3/t9-,10-,11-/m0/s1 |
| InChIKey |
ULMCQNBDDBKXIO-DCAQKATOSA-N |
| Inlet Type |
Split (90:1) |
| Instrument Name |
Agilent 7890A GC-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300050 |
| Molecular Weight |
213.321 g/mol |
| Optical Rotation |
[a]D20 = -20.9 (c = 0.70, CHCl3) |
| Quality |
906 |
| Reported Formula |
C12H23NO2 |
| SMILES |
N1[C@](CC[C@@]([C@@]1(C)[H])(C(=O)OCC)[H])(CCC)[H] |
| SPLASH |
splash10-00di-5900000000-b423ee9b924e483f6b70 |
| Sample Comments |
dr = 98:2 |
| Source of Spectrum |
ASC-365-SM134-(2S,3S,6S)-4e (DOI: 10.1002/adsc.202300050) |
| Thin-Layer Chromatography |
0.12 (silica gel 60, cyclohexane/MTBE, 1:1) |
| Wiley ID |
1909650 |
