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benzo[b]thiophene-3-carboxylic acid, 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)-4,5,6,7-tetrahydro-, methyl ester

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

benzo[b]thiophene-3-carboxylic acid, 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID CsUPspf20Oh
InChI InChI=1S/C19H17F6N3O2S/c1-9-7-17(18(20,21)22,19(23,24)25)11(8-26)14(27)28(9)15-13(16(29)30-2)10-5-3-4-6-12(10)31-15/h7H,3-6,27H2,1-2H3
InChIKey OIINQGQBVHQFQI-UHFFFAOYSA-N
Mol Weight 465.41 g/mol
Molecular Formula C19H17F6N3O2S
Exact Mass 465.094567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IiADl6YkHN1
Name benzo[b]thiophene-3-carboxylic acid, 2-(2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1(4H)-pyridinyl)-4,5,6,7-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/C19H17F6N3O2S/c1-9-7-17(18(20,21)22,19(23,24)25)11(8-26)14(27)28(9)15-13(16(29)30-2)10-5-3-4-6-12(10)31-15/h7H,3-6,27H2,1-2H3
InChIKey OIINQGQBVHQFQI-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2370
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/9243353; Labnumber: AU-0000792