| SpectraBase Spectrum ID |
E02sy5bNrv1 |
| Name |
5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-, 2-(methylthio)ethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.091198075 u |
| Formula |
C16H17F3N2O3S |
| InChI |
InChI=1S/C16H17F3N2O3S/c1-9-12(14(22)24-7-8-25-2)13(21-15(23)20-9)10-3-5-11(6-4-10)16(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,20,21,23) |
| InChIKey |
JPQQFHWDECJVKY-UHFFFAOYSA-N |
| Molecular Weight |
374.378 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14689 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10322883; Lab Info: SAS; Lab Number: SAS-tst4477 |
