| SpectraBase Spectrum ID |
7vJk4XeZeuA |
| Name |
4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C29H27F2N5O4S2/c1-3-40-28(39)24-20-8-6-10-22(20)42-27(24)33-25(37)16(2)41-29-35-34-23(36(29)18-13-11-17(30)12-14-18)15-32-26(38)19-7-4-5-9-21(19)31/h4-5,7,9,11-14,16H,3,6,8,10,15H2,1-2H3,(H,32,38)(H,33,37) |
| InChIKey |
POKSZIGDVFVIPV-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB_8313_6701 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: NMR/10278713 |
![4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester](/api/spectrum/7vJk4XeZeuA/structure.png?h=300&w=458 "4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester")
