SpectraBase Spectrum ID |
K044kFAe52X |
Name |
methyl 2-{[2,2,2-trifluoro-1-[(phenylacetyl)amino]-1-(trifluoromethyl)ethyl]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/C21H20F6N2O3S/c1-32-18(31)16-13-9-5-6-10-14(13)33-17(16)29-19(20(22,23)24,21(25,26)27)28-15(30)11-12-7-3-2-4-8-12/h2-4,7-8,29H,5-6,9-11H2,1H3,(H,28,30) |
InChIKey |
OFYNQDFUHAMBPL-UHFFFAOYSA-N |
NMR Offset |
17.1563 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_427 |
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: C27131; Labnumber: SOK-1048; SBI_ID: SBI-000429 |
Temperature |
308 °C |