| SpectraBase Spectrum ID |
44XaFBvCY9R |
| Name |
(6Z)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.028138678 u |
| Formula |
C21H16ClN5O5S2 |
| InChI |
InChI=1S/C21H16ClN5O5S2/c1-31-16-9-12(7-14-18(23)26-20(24-19(14)28)34-25-21(26)33-2)8-15(22)17(16)32-10-11-3-5-13(6-4-11)27(29)30/h3-9,23H,10H2,1-2H3/b14-7-,23-18? |
| InChIKey |
RKDXXLNLZDVZDO-JNHVIYSYSA-N |
| Molecular Weight |
517.962 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_187 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259845 |
![(6Z)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one](/api/spectrum/44XaFBvCY9R/structure.png?h=300&w=458 "(6Z)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
