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2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile

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2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile
SpectraBase Compound ID 882bt5COtvM
InChI InChI=1S/C19H16F6N4S/c1-10-7-17(18(20,21)22,19(23,24)25)13(9-27)15(28)29(10)16-12(8-26)11-5-3-2-4-6-14(11)30-16/h7H,2-6,28H2,1H3
InChIKey NNRKQRYVIKFFJM-UHFFFAOYSA-N
Mol Weight 446.42 g/mol
Molecular Formula C19H16F6N4S
Exact Mass 446.099987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gm2qDSDvjv4
Name 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile
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/C19H16F6N4S/c1-10-7-17(18(20,21)22,19(23,24)25)13(9-27)15(28)29(10)16-12(8-26)11-5-3-2-4-6-14(11)30-16/h7H,2-6,28H2,1H3
InChIKey NNRKQRYVIKFFJM-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2893
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/9290699; Labnumber: AU-0000405