| SpectraBase Spectrum ID |
33T2SAqJTTX |
| Name |
(1R,2S,5R)-2-((4-(4-chlorophenyl)-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 |
416.020925614 u |
| Formula |
C17H12ClF3N2O3S |
| InChI |
InChI=1S/C17H12ClF3N2O3S/c18-9-3-1-8(2-4-9)10-5-14(17(19,20)21)23-16(22-10)27-13-6-11(24)15-25-7-12(13)26-15/h1-5,12-13,15H,6-7H2/t12-,13+,15-/m1/s1 |
| InChIKey |
GECMXBUUGKBKNQ-VNHYZAJKSA-N |
| Molecular Weight |
416.802 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15841 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240789; Lab Info: DAL; Lab Number: DAL-01040007 |
![(1R,2S,5R)-2-((4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/33T2SAqJTTX/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
