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1H-indole, 5-bromo-2,3-dihydro-1-(1-oxopropyl)-7-[[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]sulfonyl]-
SpectraBase Compound ID JyeHcEtWFCK
InChI InChI=1S/C22H26BrN5O4S/c1-2-19(29)28-8-4-16-14-17(23)15-18(21(16)28)33(31,32)13-5-20(30)26-9-11-27(12-10-26)22-24-6-3-7-25-22/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKey LNOQYVMLDALTGB-UHFFFAOYSA-N
Mol Weight 536.45 g/mol
Molecular Formula C22H26BrN5O4S
Exact Mass 535.088889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 620BRSgWa4J
Name 1H-indole, 5-bromo-2,3-dihydro-1-(1-oxopropyl)-7-[[3-oxo-3-[4-(2-pyrimidinyl)-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/C22H26BrN5O4S/c1-2-19(29)28-8-4-16-14-17(23)15-18(21(16)28)33(31,32)13-5-20(30)26-9-11-27(12-10-26)22-24-6-3-7-25-22/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKey LNOQYVMLDALTGB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8103
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/12258239