| SpectraBase Spectrum ID |
6UBHOSw07rZ |
| Name |
(2RS,3SR,4RS)-3-Acetoxy-4-(2,4-dioxo-1H-pyrimidine-3-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-thiopyran |
| Appearance |
Fine white powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.039162501 u |
| Formula |
C12H11F3N2O4S |
| InChI |
InChI=1S/C12H11F3N2O4S/c1-6(18)21-9-7(3-5-22-10(9)12(13,14)15)17-8(19)2-4-16-11(17)20/h2-5,7,9-10H,1H3,(H,16,20)/t7-,9+,10-/m1/s1 |
| InChIKey |
PQZLCMZDYKEXAB-FKTZTGRPSA-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=CC(N(C1=O)[C@]1([C@@]([C@@](SC=C1)(C(F)(F)F)[H])(OC(=O)C)[H])[H])=O |
| SPLASH |
splash10-052u-6890000000-0da9389a633a603e63b8 |
| Source of Spectrum |
K1-2018-5583-20 (DOI: 10.1002/ejoc.201800643) |
| Thin-Layer Chromatography |
0.70 (EtOAc) |
| Wiley ID |
1894347 |
