| SpectraBase Spectrum ID |
HKTReZbHYs7 |
| Name |
tert-butyl (2S)-3,6-dimethyl-2-(2-thienyl)-2H-pyridine-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO2S |
| InChI |
InChI=1S/C16H21NO2S/c1-11-8-9-12(2)17(15(18)19-16(3,4)5)14(11)13-7-6-10-20-13/h6-10,14H,1-5H3/t14-/m0/s1 |
| InChIKey |
XYIYFRYFWINQQC-AWEZNQCLSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
291.409 g/mol |
| Optical Rotation |
[a]D20 = -544.4 (c = 1.00, CHCl3) |
| Reported Formula |
C16H21NO2S |
| SMILES |
C=1(N([C@@](C(=CC1)C)(c1sccc1)[H])C(=O)OC(C)(C)C)C |
| SPLASH |
splash10-0a4r-5890000000-773a086530d7ecf3cc7c |
| Sample Comments |
>99% ee |
| Source of Spectrum |
CN110590644A |
| Wiley ID |
1874943 |
