| SpectraBase Spectrum ID |
K9SU4yooFJ3 |
| Name |
(1R,2S,5R)-2-((4-(3,4-dichlorophenyl)-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 |
449.981953282 u |
| Formula |
C17H11Cl2F3N2O3S |
| InChI |
InChI=1S/C17H11Cl2F3N2O3S/c18-8-2-1-7(3-9(8)19)10-4-14(17(20,21)22)24-16(23-10)28-13-5-11(25)15-26-6-12(13)27-15/h1-4,12-13,15H,5-6H2/t12-,13+,15-/m1/s1 |
| InChIKey |
LBHWBALXVNKFPV-VNHYZAJKSA-N |
| Molecular Weight |
451.247 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15842 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240798; Lab Info: DAL; Lab Number: DAL-01040016 |
![(1R,2S,5R)-2-((4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/K9SU4yooFJ3/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
