| SpectraBase Spectrum ID |
LZyiCO5uY2O |
| Name |
benzo[b]thiophene-3-carboxylic acid, 6-ethyl-2-[[2-(4-fluorophenoxy)-1-oxopropyl]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 |
419.156657654 u |
| Formula |
C22H26FNO4S |
| InChI |
InChI=1S/C22H26FNO4S/c1-4-14-6-11-17-18(12-14)29-21(19(17)22(26)27-5-2)24-20(25)13(3)28-16-9-7-15(23)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,25) |
| InChIKey |
PCCJYGWMMOSJMO-UHFFFAOYSA-N |
| Molecular Weight |
419.511 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14027 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10021218; Lab Info: PNA; Lab Number: PNA-1991481 |
![benzo[b]thiophene-3-carboxylic acid, 6-ethyl-2-[[2-(4-fluorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, ethyl ester](/api/spectrum/LZyiCO5uY2O/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 6-ethyl-2-[[2-(4-fluorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, ethyl ester")
