| SpectraBase Spectrum ID |
8T5tFB3iP5L |
| Name |
isopropyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-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/C27H28BrFN6O3S2/c1-14(2)38-26(37)21-18-7-5-6-8-19(18)40-25(21)30-20(36)13-39-27-32-31-24(23-22(28)15(3)34(4)33-23)35(27)17-11-9-16(29)10-12-17/h9-12,14H,5-8,13H2,1-4H3,(H,30,36) |
| InChIKey |
NPLJGRVCGQYSFL-UHFFFAOYSA-N |
| NMR Offset |
17.1563 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UZI_26187_11340 |
| 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/1031948; Labnumber: NIV1116; UZI_ID: UZI-011342 |
| Temperature |
308 °C |
![isopropyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/8T5tFB3iP5L/structure.png?h=300&w=458 "isopropyl 2-[({[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
