| SpectraBase Spectrum ID |
4Q0LPSh40cb |
| Name |
benzoic acid, 4-chloro-, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.081553978 u |
| Formula |
C23H19ClN4O4S |
| InChI |
InChI=1S/C23H19ClN4O4S/c1-3-4-19-27-28-20(25)16(21(29)26-23(28)33-19)11-13-5-10-17(18(12-13)31-2)32-22(30)14-6-8-15(24)9-7-14/h5-12,25H,3-4H2,1-2H3/b16-11-,25-20? |
| InChIKey |
KOCPMMHQBFDHDE-LXEXHQCYSA-N |
| Molecular Weight |
482.942 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12658 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10030445; Lab Info: CEP; Lab Number: CEP-6700406 |
![benzoic acid, 4-chloro-, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester](/api/spectrum/4Q0LPSh40cb/structure.png?h=300&w=458 "benzoic acid, 4-chloro-, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester")
