| SpectraBase Spectrum ID |
LFtfpVY33q8 |
| Name |
acetic acid, [[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]-, 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 |
438.053041348 u |
| Formula |
C22H18N2O2S3 |
| InChI |
InChI=1S/C22H18N2O2S3/c1-2-26-19(25)13-29-22-17(12-23)20(18-6-4-10-28-18)16-8-7-14(21(16)24-22)11-15-5-3-9-27-15/h3-6,9-11H,2,7-8,13H2,1H3/b14-11+ |
| InChIKey |
GRTOHCMYOMUHMP-SDNWHVSQSA-N |
| Molecular Weight |
438.578 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6187 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220077; Lab Info: HOR; Lab Number: HOR-0000613 |
![acetic acid, [[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]-, ethyl ester](/api/spectrum/LFtfpVY33q8/structure.png?h=300&w=458 "acetic acid, [[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]-, ethyl ester")
