| SpectraBase Spectrum ID |
98jR4WlGu2C |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 3-methylbenzoate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.066382736 u |
| Formula |
C21H16N4O3S2 |
| InChI |
InChI=1S/C21H16N4O3S2/c1-12-4-3-5-14(10-12)19(27)28-15-8-6-13(7-9-15)11-16-17(22)25-20(23-18(16)26)30-24-21(25)29-2/h3-11,22H,1-2H3/b16-11-,22-17? |
| InChIKey |
JNCFNFKPXOHTLB-HJMKZUPFSA-N |
| Molecular Weight |
436.504 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_180 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259838 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 3-methylbenzoate](/api/spectrum/98jR4WlGu2C/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 3-methylbenzoate")
