| SpectraBase Spectrum ID |
AsPcfeuSoHT |
| Name |
3-{5-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoic 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 |
412.029997226 u |
| Formula |
C18H12N4O4S2 |
| InChI |
InChI=1S/C18H12N4O4S2/c1-27-18-21-28-17-20-15(23)12(14(19)22(17)18)8-11-5-6-13(26-11)9-3-2-4-10(7-9)16(24)25/h2-8,19H,1H3,(H,24,25)/b12-8-,19-14? |
| InChIKey |
SZMURRCYPVIHAT-GHZHVEGCSA-N |
| Molecular Weight |
412.438 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_129 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259786 |
![3-{5-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoic acid](/api/spectrum/AsPcfeuSoHT/structure.png?h=300&w=458 "3-{5-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoic acid")
