| SpectraBase Spectrum ID |
2vYYkodeI4X |
| Name |
4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 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 |
466.076947420 u |
| Formula |
C22H18N4O4S2 |
| InChI |
InChI=1S/C22H18N4O4S2/c1-12-5-4-6-14(9-12)20(28)30-16-8-7-13(11-17(16)29-2)10-15-18(23)26-21(24-19(15)27)32-25-22(26)31-3/h4-11,23H,1-3H3/b15-10-,23-18? |
| InChIKey |
MTNPACHTBZQUJY-IQGAPNPZSA-N |
| Molecular Weight |
466.530 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_183 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259841 |
![4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate](/api/spectrum/2vYYkodeI4X/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 3-methylbenzoate")
