| SpectraBase Spectrum ID |
4FLp2rlHZD6 |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 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 |
458.017718465 u |
| Formula |
C19H14N4O4S3 |
| InChI |
InChI=1S/C19H14N4O4S3/c1-26-13-9-10(5-6-12(13)27-17(25)14-4-3-7-29-14)8-11-15(20)23-18(21-16(11)24)30-22-19(23)28-2/h3-9,20H,1-2H3/b11-8-,20-15? |
| InChIKey |
UKZGSDKTSROVDR-GDGARQCUSA-N |
| Molecular Weight |
458.525 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_154 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259811 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 2-thiophenecarboxylate](/api/spectrum/4FLp2rlHZD6/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]-2-methoxyphenyl 2-thiophenecarboxylate")
