For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 2-([2,2,2-trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 2-([2,2,2-trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GiXuq03b17k
InChI InChI=1S/C17H20F6N2O3S/c1-8(2)12(26)24-15(16(18,19)20,17(21,22)23)25-13-11(14(27)28-3)9-6-4-5-7-10(9)29-13/h8,25H,4-7H2,1-3H3,(H,24,26)
InChIKey IUHBGLFKWCHFCQ-UHFFFAOYSA-N
Mol Weight 446.41 g/mol
Molecular Formula C17H20F6N2O3S
Exact Mass 446.109883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FlE7D3JCWxg
Name methyl 2-{[2,2,2-trifluoro-1-(isobutyrylamino)-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/C17H20F6N2O3S/c1-8(2)12(26)24-15(16(18,19)20,17(21,22)23)25-13-11(14(27)28-3)9-6-4-5-7-10(9)29-13/h8,25H,4-7H2,1-3H3,(H,24,26)
InChIKey IUHBGLFKWCHFCQ-UHFFFAOYSA-N
NMR Offset 13.9804
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1784
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/9254010; Labnumber: AU-0000917
Temperature 297 °C