| SpectraBase Spectrum ID |
2HCtUB4Yftu |
| Name |
4-(4-methoxyphenyl)-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 |
414.086112694 u |
| Formula |
C18H17F3N2O4S |
| InChI |
InChI=1S/C18H17F3N2O4S/c1-25-10-4-2-9(3-5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,12-14,16,24H,7-8H2,1H3/t12-,13-,14+,16-/m1/s1 |
| InChIKey |
VTGVURHSGJTLAM-HGTKMLMNSA-N |
| Molecular Weight |
414.399 g/mol |
| NMR Offset |
11.1258 |
| NMR Spectrometer Frequency |
500.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16737 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11210600; Lab Info: DAL; Lab Number: DAL-0104001 |
![4-(4-methoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine](/api/spectrum/2HCtUB4Yftu/structure.png?h=300&w=458 "4-(4-methoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine")
