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methyl 5-bromo-3-{[3-(trifluoromethyl)benzoyl]amino}-1H-indole-2-carboxylate
SpectraBase Compound ID CGvivWakxIA
InChI InChI=1S/C18H12BrF3N2O3/c1-27-17(26)15-14(12-8-11(19)5-6-13(12)23-15)24-16(25)9-3-2-4-10(7-9)18(20,21)22/h2-8,23H,1H3,(H,24,25)
InChIKey RUJPFRDGBPMDTK-UHFFFAOYSA-N
Mol Weight 441.2 g/mol
Molecular Formula C18H12BrF3N2O3
Exact Mass 439.99834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FVRkveT00xO
Name methyl 5-bromo-3-{[3-(trifluoromethyl)benzoyl]amino}-1H-indole-2-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/C18H12BrF3N2O3/c1-27-17(26)15-14(12-8-11(19)5-6-13(12)23-15)24-16(25)9-3-2-4-10(7-9)18(20,21)22/h2-8,23H,1H3,(H,24,25)
InChIKey RUJPFRDGBPMDTK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8492
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: 128031; Labnumber: SIMAK-00100; VK_ID: VK-008496
Temperature 315 °C