| SpectraBase Spectrum ID |
CcZKeZlvE2K |
| Name |
(1R,2S,5R)-2-((4-(benzo[d][1,3]dioxol-5-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 |
426.049727185 u |
| Formula |
C18H13F3N2O5S |
| InChI |
InChI=1S/C18H13F3N2O5S/c19-18(20,21)15-4-9(8-1-2-11-12(3-8)27-7-26-11)22-17(23-15)29-14-5-10(24)16-25-6-13(14)28-16/h1-4,13-14,16H,5-7H2/t13-,14+,16-/m1/s1 |
| InChIKey |
LDZURKXERCVMTD-IJEWVQPXSA-N |
| Molecular Weight |
426.366 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16106 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240797; Lab Info: DAL; Lab Number: DAL-01040015 |
![(1R,2S,5R)-2-((4-(benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/CcZKeZlvE2K/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-(benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
