| SpectraBase Spectrum ID |
4BLrwisG8pf |
| Name |
benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, methyl 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 |
422.104876246 u |
| Formula |
C21H18N4O4S |
| InChI |
InChI=1S/C21H18N4O4S/c1-3-4-17-24-25-18(22)15(19(26)23-21(25)30-17)11-14-9-10-16(29-14)12-5-7-13(8-6-12)20(27)28-2/h5-11,22H,3-4H2,1-2H3/b15-11-,22-18? |
| InChIKey |
HUQWFUMHJMGGNG-AXPJIBDUSA-N |
| Molecular Weight |
422.459 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15628 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10034278; Lab Info: CEP; Lab Number: CEP-6700154 |
![benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, methyl ester](/api/spectrum/4BLrwisG8pf/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-, methyl ester")
