| SpectraBase Spectrum ID |
EnYLDE2HdQL |
| Name |
4-(3,4-dimethoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.096677378 u |
| Formula |
C19H19F3N2O5S |
| InChI |
InChI=1S/C19H19F3N2O5S/c1-26-12-4-3-9(5-13(12)27-2)10-6-16(19(20,21)22)24-18(23-10)30-15-7-11(25)17-28-8-14(15)29-17/h3-6,11,14-15,17,25H,7-8H2,1-2H3/t11-,14+,15-,17+/m0/s1 |
| InChIKey |
KQENPVPYQNPGGH-MQVNZCODSA-N |
| Molecular Weight |
444.425 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16791 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11260921; Lab Info: DAL; Lab Number: DAL-0105002 |
![4-(3,4-dimethoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine](/api/spectrum/EnYLDE2HdQL/structure.png?h=300&w=458 "4-(3,4-dimethoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine")
