| SpectraBase Spectrum ID |
129HOUzfxrM |
| Name |
benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 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 |
480.091056034 u |
| Formula |
C25H21ClN2O4S |
| InChI |
InChI=1S/C25H21ClN2O4S/c1-2-31-25(30)22-19-5-3-4-6-21(19)33-24(22)28-23(29)16(14-27)13-18-11-12-20(32-18)15-7-9-17(26)10-8-15/h7-13H,2-6H2,1H3,(H,28,29)/b16-13- |
| InChIKey |
OWGKZZJCNYZUEA-SSZFMOIBSA-N |
| Molecular Weight |
480.966 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9206 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9245042; Lab Info: OBU; Lab Number: OBU-B000019 |
![benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester](/api/spectrum/129HOUzfxrM/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester")
