| SpectraBase Spectrum ID |
3wkKGWV0JvR |
| Name |
(1R,2S,5R)-2-((4-isopropyl-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 |
348.075548011 u |
| Formula |
C14H15F3N2O3S |
| InChI |
InChI=1S/C14H15F3N2O3S/c1-6(2)7-3-11(14(15,16)17)19-13(18-7)23-10-4-8(20)12-21-5-9(10)22-12/h3,6,9-10,12H,4-5H2,1-2H3/t9-,10+,12-/m1/s1 |
| InChIKey |
IHTFJJFBQBJNGH-JFGNBEQYSA-N |
| Molecular Weight |
348.340 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16782 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240787; Lab Info: DAL; Lab Number: DAL-01040005 |
![(1R,2S,5R)-2-((4-isopropyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/3wkKGWV0JvR/structure.png?h=300&w=458 "(1R,2S,5R)-2-((4-isopropyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one")
