| SpectraBase Spectrum ID |
DNklIHotYcM |
| Name |
benzoic acid, 4-[[[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, 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 |
428.097682865 u |
| Formula |
C20H20N4O3S2 |
| InChI |
InChI=1S/C20H20N4O3S2/c1-3-11-24-18(16-6-5-12-28-16)22-23-20(24)29-13-17(25)21-15-9-7-14(8-10-15)19(26)27-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,21,25) |
| InChIKey |
SHGUFXGHVBJHTO-UHFFFAOYSA-N |
| Molecular Weight |
428.525 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6101 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10310705; Lab Info: SAD; Lab Number: 4 |
![benzoic acid, 4-[[[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester](/api/spectrum/DNklIHotYcM/structure.png?h=300&w=458 "benzoic acid, 4-[[[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester")
