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ethyl 6-bromo-2-{[4-(cyanomethyl)-1-piperazinyl]methyl}-5-methoxy-1-phenyl-1H-indole-3-carboxylate
SpectraBase Compound ID 5Nt3DhkSgTN
InChI InChI=1S/C25H27BrN4O3/c1-3-33-25(31)24-19-15-23(32-2)20(26)16-21(19)30(18-7-5-4-6-8-18)22(24)17-29-13-11-28(10-9-27)12-14-29/h4-8,15-16H,3,10-14,17H2,1-2H3
InChIKey QVGLIRWCSHRFFD-UHFFFAOYSA-N
Mol Weight 511.42 g/mol
Molecular Formula C25H27BrN4O3
Exact Mass 510.126654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hpwc52ZpyBm
Name ethyl 6-bromo-2-{[4-(cyanomethyl)-1-piperazinyl]methyl}-5-methoxy-1-phenyl-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/C25H27BrN4O3/c1-3-33-25(31)24-19-15-23(32-2)20(26)16-21(19)30(18-7-5-4-6-8-18)22(24)17-29-13-11-28(10-9-27)12-14-29/h4-8,15-16H,3,10-14,17H2,1-2H3
InChIKey QVGLIRWCSHRFFD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3368
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/6079554; Labnumber: JMR-0001086; IOH_ID: IOH-003369
Temperature 303 °C