| SpectraBase Spectrum ID |
3fRqqLGTAAH |
| Name |
4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, 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/C30H29FN6O6S2/c1-2-43-29(40)26-21-9-4-3-5-11-23(21)45-28(26)33-25(38)17-44-30-35-34-24(16-32-27(39)20-8-6-7-10-22(20)31)36(30)18-12-14-19(15-13-18)37(41)42/h6-8,10,12-15H,2-5,9,11,16-17H2,1H3,(H,32,39)(H,33,38) |
| InChIKey |
UKGYVUGVIGFBAA-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB_8313_6691 |
| 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/10278703 |
![4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester](/api/spectrum/3fRqqLGTAAH/structure.png?h=300&w=458 "4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester")
