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1H-indole, 1-acetyl-5-bromo-2,3-dihydro-2-methyl-7-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-
SpectraBase Compound ID 8tEKlRAg406
InChI InChI=1S/C22H26BrN3O3S/c1-16-12-19-13-20(23)14-21(22(19)26(16)17(2)27)30(28,29)25-10-8-24(9-11-25)15-18-6-4-3-5-7-18/h3-7,13-14,16H,8-12,15H2,1-2H3
InChIKey ZTBNGSODLMESBJ-UHFFFAOYSA-N
Mol Weight 492.43 g/mol
Molecular Formula C22H26BrN3O3S
Exact Mass 491.087826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7uOGKEOmRjl
Name 1H-indole, 1-acetyl-5-bromo-2,3-dihydro-2-methyl-7-[[4-(phenylmethyl)-1-piperazinyl]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/C22H26BrN3O3S/c1-16-12-19-13-20(23)14-21(22(19)26(16)17(2)27)30(28,29)25-10-8-24(9-11-25)15-18-6-4-3-5-7-18/h3-7,13-14,16H,8-12,15H2,1-2H3
InChIKey ZTBNGSODLMESBJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8023
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/12258135