| SpectraBase Spectrum ID |
LSaazzn3VPn |
| Name |
benzoic acid, 4-[(5Z)-5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-oxothiazolidinyl]-, 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 |
436.100539757 u |
| Formula |
C22H17FN4O3S |
| InChI |
InChI=1S/C22H17FN4O3S/c1-2-30-21(29)14-5-9-17(10-6-14)27-20(28)18(31-22(27)24)11-15-12-25-26-19(15)13-3-7-16(23)8-4-13/h3-12,24H,2H2,1H3,(H,25,26)/b18-11-,24-22? |
| InChIKey |
OPYNIIDCDZEABY-DGOGAKRRSA-N |
| Molecular Weight |
436.461 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14758 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320403; Lab Info: SAD; Lab Number: SAD-dast013 |
![benzoic acid, 4-[(5Z)-5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester](/api/spectrum/LSaazzn3VPn/structure.png?h=300&w=458 "benzoic acid, 4-[(5Z)-5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester")
