| SpectraBase Spectrum ID |
KxfeBgmlGUO |
| Name |
benzoic acid, 4-(9-cyano-7,8-dihydro-6-oxo-8-(2-thienyl)-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-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 |
425.086783829 u |
| Formula |
C21H19N3O3S2 |
| InChI |
InChI=1S/C21H19N3O3S2/c1-2-27-21(26)14-5-7-15(8-6-14)23-12-24-19(25)10-16(18-4-3-9-28-18)17(11-22)20(24)29-13-23/h3-9,16H,2,10,12-13H2,1H3 |
| InChIKey |
CPDWKERJWDTWKO-UHFFFAOYSA-N |
| Molecular Weight |
425.521 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_3703 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13278736 |
![benzoic acid, 4-(9-cyano-7,8-dihydro-6-oxo-8-(2-thienyl)-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester](/api/spectrum/KxfeBgmlGUO/structure.png?h=300&w=458 "benzoic acid, 4-(9-cyano-7,8-dihydro-6-oxo-8-(2-thienyl)-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)-, ethyl ester")
