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1H-indole, 5-bromo-2,3-dihydro-1-(1-oxopropyl)-7-[[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]sulfonyl]-
SpectraBase Compound ID 2nBFj4Z3eDy
InChI InChI=1S/C25H27BrF3N3O4S/c1-2-22(33)32-8-6-17-14-19(26)16-21(24(17)32)37(35,36)13-7-23(34)31-11-9-30(10-12-31)20-5-3-4-18(15-20)25(27,28)29/h3-5,14-16H,2,6-13H2,1H3
InChIKey QKKAMYHYJGDCIR-UHFFFAOYSA-N
Mol Weight 602.47 g/mol
Molecular Formula C25H27BrF3N3O4S
Exact Mass 601.085775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Bufr5cd6hY
Name 1H-indole, 5-bromo-2,3-dihydro-1-(1-oxopropyl)-7-[[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]sulfonyl]-
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/C25H27BrF3N3O4S/c1-2-22(33)32-8-6-17-14-19(26)16-21(24(17)32)37(35,36)13-7-23(34)31-11-9-30(10-12-31)20-5-3-4-18(15-20)25(27,28)29/h3-5,14-16H,2,6-13H2,1H3
InChIKey QKKAMYHYJGDCIR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8119
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/12258260