| SpectraBase Spectrum ID |
8RBKvMHxtnV |
| Name |
ethyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| 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/C28H30BrFN6O3S2/c1-5-16-7-12-19-20(13-16)41-26(22(19)27(38)39-6-2)31-21(37)14-40-28-33-32-25(24-23(29)15(3)35(4)34-24)36(28)18-10-8-17(30)9-11-18/h8-11,16H,5-7,12-14H2,1-4H3,(H,31,37) |
| InChIKey |
ITYCSZRANSYFAU-UHFFFAOYSA-N |
| NMR Offset |
17.1563 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UZI_26187_11342 |
| 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: UZI/1031471; Labnumber: NIV1118; UZI_ID: UZI-011344 |
| Temperature |
308 °C |
![ethyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/8RBKvMHxtnV/structure.png?h=300&w=458 "ethyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
