| SpectraBase Spectrum ID |
1PxlpINYFMu |
| Name |
(1R,2S,5R)-2-((4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.016319056 u |
| Formula |
C15H11F3N2O3S2 |
| InChI |
InChI=1S/C15H11F3N2O3S2/c16-15(17,18)12-4-7(10-2-1-3-24-10)19-14(20-12)25-11-5-8(21)13-22-6-9(11)23-13/h1-4,9,11,13H,5-6H2/t9-,11+,13-/m1/s1 |
| InChIKey |
IJLZWHNNJXHORO-SUZMYJTESA-N |
| Molecular Weight |
388.379 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16107 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240799; Lab Info: DAL; Lab Number: DAL-01040017 |
![(1R,2S,5R)-2-((4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/1PxlpINYFMu/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
