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4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester
SpectraBase Compound ID BwRVg0KjqgU
InChI InChI=1S/C21H20F6N2O3S/c1-32-18(31)15-13-10-6-3-7-11-14(13)33-17(15)29-19(20(22,23)24,21(25,26)27)28-16(30)12-8-4-2-5-9-12/h2,4-5,8-9,29H,3,6-7,10-11H2,1H3,(H,28,30)
InChIKey SWMPBHIIFBCHGG-UHFFFAOYSA-N
Mol Weight 494.45 g/mol
Molecular Formula C21H20F6N2O3S
Exact Mass 494.109883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3KfjB3C9dr5
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl 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/C21H20F6N2O3S/c1-32-18(31)15-13-10-6-3-7-11-14(13)33-17(15)29-19(20(22,23)24,21(25,26)27)28-16(30)12-8-4-2-5-9-12/h2,4-5,8-9,29H,3,6-7,10-11H2,1H3,(H,28,30)
InChIKey SWMPBHIIFBCHGG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2169
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/9290724; Labnumber: AU-0000455
Temperature 303 °C