| SpectraBase Spectrum ID |
KnLCIIF1bAB |
| Name |
benzoic acid, 4-((7Z)-6,7-dihydro-6-oxo-7-(3-pyridinylmethylene)-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)-, 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 |
394.109961627 u |
| Formula |
C20H18N4O3S |
| InChI |
InChI=1S/C20H18N4O3S/c1-2-27-19(26)15-5-7-16(8-6-15)23-12-22-20-24(13-23)18(25)17(28-20)10-14-4-3-9-21-11-14/h3-11H,2,12-13H2,1H3/b17-10- |
| InChIKey |
QWDVFZBRWAIGJF-YVLHZVERSA-N |
| Molecular Weight |
394.449 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9753 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/9094079; Lab Info: KUR; Lab Number: KUR-1000074 |
![benzoic acid, 4-((7Z)-6,7-dihydro-6-oxo-7-(3-pyridinylmethylene)-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)-, ethyl ester](/api/spectrum/KnLCIIF1bAB/structure.png?h=300&w=458 "benzoic acid, 4-((7Z)-6,7-dihydro-6-oxo-7-(3-pyridinylmethylene)-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)-, ethyl ester")
