| SpectraBase Spectrum ID |
LdtD9ELQYe3 |
| Name |
{4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}acetic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.040561910 u |
| Formula |
C16H14N4O5S2 |
| InChI |
InChI=1S/C16H14N4O5S2/c1-24-11-6-8(3-4-10(11)25-7-12(21)22)5-9-13(17)20-15(18-14(9)23)27-19-16(20)26-2/h3-6,17H,7H2,1-2H3,(H,21,22)/b9-5-,17-13? |
| InChIKey |
BDTSXXWEHGVZFH-FPLKVGGASA-N |
| Molecular Weight |
406.431 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_165 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259823 |
![{4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenoxy}acetic acid](/api/spectrum/LdtD9ELQYe3/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-methoxyphenoxy}acetic acid")
