| SpectraBase Spectrum ID |
LQ1EMtNLmx2 |
| Name |
(2RS,3SR,6RS)-3-Acetoxy-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-trifluoromethyl-3,6-dihydro-2H-thiopyran |
| Appearance |
Fine white powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.039162501 u |
| Formula |
C12H11F3N2O4S |
| InChI |
InChI=1S/C12H11F3N2O4S/c1-6(18)21-7-2-3-9(22-10(7)12(13,14)15)17-5-4-8(19)16-11(17)20/h2-5,7,9-10H,1H3,(H,16,19,20)/t7-,9+,10+/m0/s1 |
| InChIKey |
PDRCUEKRLMCEPC-FXBDTBDDSA-N |
| Instrument Name |
Hewlett-Packard 5890/5972 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800643 |
| Molecular Weight |
336.285 g/mol |
| Quality |
162 |
| SMILES |
N1C(C=CN(C1=O)[C@]1(C=C[C@@]([C@@](S1)(C(F)(F)F)[H])(OC(C)=O)[H])[H])=O |
| SPLASH |
splash10-0406-5950000000-fd189946651bd2abb7b6 |
| Source of Spectrum |
K1-2018-5582-12b (DOI: 10.1002/ejoc.201800643) |
| Wiley ID |
1894340 |
