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ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
SpectraBase Compound ID 1xPcbKfPsEP
InChI InChI=1S/C23H19BrF3N3O4S/c1-5-33-22(32)20-13-7-19(34-12(3)31)16(24)8-17(13)30(4)18(20)10-35-21-14(9-28)15(23(25,26)27)6-11(2)29-21/h6-8H,5,10H2,1-4H3
InChIKey QXIQJOJRBUPZFV-UHFFFAOYSA-N
Mol Weight 570.38 g/mol
Molecular Formula C23H19BrF3N3O4S
Exact Mass 569.023175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHyc9DFqD80
Name ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1-methyl-1H-indole-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/C23H19BrF3N3O4S/c1-5-33-22(32)20-13-7-19(34-12(3)31)16(24)8-17(13)30(4)18(20)10-35-21-14(9-28)15(23(25,26)27)6-11(2)29-21/h6-8H,5,10H2,1-4H3
InChIKey QXIQJOJRBUPZFV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3970
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: ZI/7132795; Labnumber: X; IOH_ID: IOH-003971
Temperature 303 °C