| SpectraBase Spectrum ID |
Jjd1TmJe1F8 |
| Name |
(1R,2S,5R)-2-((4-(2-methoxyphenyl)-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 |
412.070462630 u |
| Formula |
C18H15F3N2O4S |
| InChI |
InChI=1S/C18H15F3N2O4S/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1 |
| InChIKey |
PZMORQKSAZIXSI-IJEWVQPXSA-N |
| Molecular Weight |
412.383 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_18139 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240795; Lab Info: DAL; Lab Number: DAL-01040013 |
![(1R,2S,5R)-2-((4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/Jjd1TmJe1F8/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
