| SpectraBase Spectrum ID |
LRgaZiHptt6 |
| Name |
benzoic acid, 4-[5-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, ethyl 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 |
436.120526310 u |
| Formula |
C22H20N4O4S |
| InChI |
InChI=1S/C22H20N4O4S/c1-4-29-21(28)14-7-5-13(6-8-14)17-10-9-15(30-17)11-16-18(23)26-22(24-19(16)27)31-20(25-26)12(2)3/h5-12,23H,4H2,1-3H3/b16-11-,23-18? |
| InChIKey |
HSVIIIYTRUTVIV-FWPSJRISSA-N |
| Molecular Weight |
436.486 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17052 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10034158; Lab Info: CEP; Lab Number: CEP-6700201 |
![benzoic acid, 4-[5-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, ethyl ester](/api/spectrum/LRgaZiHptt6/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(Z)-(5-imino-2-(1-methylethyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, ethyl ester")
