| SpectraBase Spectrum ID |
O77CJui40t |
| Name |
5-pyrimidinecarboxylic acid, 4-(5-bromo-2-methoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(ethylthio)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 |
428.040541334 u |
| Formula |
C17H21BrN2O4S |
| InChI |
InChI=1S/C17H21BrN2O4S/c1-4-25-8-7-24-16(21)14-10(2)19-17(22)20-15(14)12-9-11(18)5-6-13(12)23-3/h5-6,9,15H,4,7-8H2,1-3H3,(H2,19,20,22) |
| InChIKey |
FXKJNZCQZIPJDH-UHFFFAOYSA-N |
| Molecular Weight |
429.329 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9384 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240546; Lab Info: SAS; Lab Number: SAS-tst3734 |
| Temperature |
23.85 °C |
