| SpectraBase Spectrum ID |
H9dlHd18fof |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-fluorobenzoate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.041310803 u |
| Formula |
C20H13FN4O3S2 |
| InChI |
InChI=1S/C20H13FN4O3S2/c1-29-20-24-30-19-23-17(26)15(16(22)25(19)20)10-11-2-8-14(9-3-11)28-18(27)12-4-6-13(21)7-5-12/h2-10,22H,1H3/b15-10-,22-16? |
| InChIKey |
JPFZTTKKCHFVEV-BMXNGJOMSA-N |
| Molecular Weight |
440.467 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_181 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259839 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-fluorobenzoate](/api/spectrum/H9dlHd18fof/structure.png?h=300&w=458 "4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-fluorobenzoate")
