| SpectraBase Spectrum ID |
3Fqg6Ei0jT4 |
| Name |
5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-, 2-(methylthio)ethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.109292921 u |
| Formula |
C16H20N2O5S |
| InChI |
InChI=1S/C16H20N2O5S/c1-9-13(15(20)23-6-7-24-3)14(18-16(21)17-9)10-4-5-11(19)12(8-10)22-2/h4-5,8,14,19H,6-7H2,1-3H3,(H2,17,18,21) |
| InChIKey |
MRHGGJBAWQKNPK-UHFFFAOYSA-N |
| Molecular Weight |
352.405 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7114163; Lab Info: SAS; Lab Number: SAS-0007227 |
| Temperature |
29.85 °C |
