| SpectraBase Spectrum ID |
5oqep3gIZDb |
| 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]-, 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/c1-11(2)19-24-25-17(22)15(18(26)23-21(25)30-19)10-14-8-9-16(29-14)12-4-6-13(7-5-12)20(27)28-3/h4-11,22H,1-3H3/b15-10-,22-17? |
| InChIKey |
WPYLIEXTYABALV-QNPDVEALSA-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_12655 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10030296; Lab Info: CEP; Lab Number: CEP-6700156 |
![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]-, methyl ester](/api/spectrum/5oqep3gIZDb/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]-, methyl ester")
