| SpectraBase Spectrum ID |
5QUwTDcyuYc |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl benzoate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.050732672 u |
| Formula |
C20H14N4O3S2 |
| InChI |
InChI=1S/C20H14N4O3S2/c1-28-20-23-29-19-22-17(25)15(16(21)24(19)20)11-12-7-9-14(10-8-12)27-18(26)13-5-3-2-4-6-13/h2-11,21H,1H3/b15-11-,21-16? |
| InChIKey |
JAFMXMNWBCICCI-UHNSRKJASA-N |
| Molecular Weight |
422.477 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_179 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259837 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl benzoate](/api/spectrum/5QUwTDcyuYc/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 benzoate")
