| SpectraBase Spectrum ID |
2JAPbwCQQ7h |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl (tert-butoxycarbonyl)-D-alanitate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.188922968 u |
| Formula |
C16H27NO5 |
| InChI |
InChI=1S/C16H27NO5/c1-11(17-15(20)22-16(2,3)4)14(19)21-13-8-6-5-7-12(13)9-10-18/h10-13H,5-9H2,1-4H3,(H,17,20)/t11-,12-,13+/m1/s1 |
| InChIKey |
OXUGWNNGLMMXMR-UPJWGTAASA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +26.3 (c = 1.0, CH2Cl2) |
| Quality |
314 |
| Reported Formula |
C16H27NO5 |
| SMILES |
N([C@@](C(O[C@@]1([C@@](CC=O)(CCCC1)[H])[H])=O)(C)[H])C(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-9000000000-db7f77e88185419f9fe6 |
| Sample Comments |
dr = 11:1 |
| Source of Spectrum |
QE-24-SM17-4y (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900257 |
