| SpectraBase Spectrum ID |
5A9ns6DxKij |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-thiophenecarboxylate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.007153781 u |
| Formula |
C18H12N4O3S3 |
| InChI |
InChI=1S/C18H12N4O3S3/c1-26-18-21-28-17-20-15(23)12(14(19)22(17)18)9-10-4-6-11(7-5-10)25-16(24)13-3-2-8-27-13/h2-9,19H,1H3/b12-9-,19-14? |
| InChIKey |
YXAKUKBASWLOCR-GODSMQODSA-N |
| Molecular Weight |
428.499 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_182 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259840 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-thiophenecarboxylate](/api/spectrum/5A9ns6DxKij/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 2-thiophenecarboxylate")
