| SpectraBase Spectrum ID |
DQXaDoPKIcn |
| Name |
benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[4-(pentyloxy)phenyl]-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 |
466.192628624 u |
| Formula |
C26H30N2O4S |
| InChI |
InChI=1S/C26H30N2O4S/c1-3-5-8-15-32-20-13-11-18(12-14-20)16-19(17-27)24(29)28-25-23(26(30)31-4-2)21-9-6-7-10-22(21)33-25/h11-14,16H,3-10,15H2,1-2H3,(H,28,29)/b19-16- |
| InChIKey |
PYZASTCRWCPDDQ-MNDPQUGUSA-N |
| Molecular Weight |
466.596 g/mol |
| NMR Offset |
16.0087 |
| NMR Spectrometer Frequency |
500.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4581 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9245025; Lab Info: OBU; Lab Number: OBU-B000002 |
![benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[4-(pentyloxy)phenyl]-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester](/api/spectrum/DQXaDoPKIcn/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-[4-(pentyloxy)phenyl]-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester")
