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4-{4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}-9-methyl-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 8F69KAbAF2Q
InChI InChI=1S/C28H26ClN5/c1-19-6-5-9-23-24(19)25-26(32-23)28(31-18-30-25)34-16-14-33(15-17-34)27(20-7-3-2-4-8-20)21-10-12-22(29)13-11-21/h2-13,18,27,32H,14-17H2,1H3
InChIKey WNISFQDJFGZNFE-UHFFFAOYSA-N
Mol Weight 468.0 g/mol
Molecular Formula C28H26ClN5
Exact Mass 467.187674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ECAonDb9MOd
Name 4-{4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}-9-methyl-5H-pyrimido[5,4-b]indole
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/C28H26ClN5/c1-19-6-5-9-23-24(19)25-26(32-23)28(31-18-30-25)34-16-14-33(15-17-34)27(20-7-3-2-4-8-20)21-10-12-22(29)13-11-21/h2-13,18,27,32H,14-17H2,1H3
InChIKey WNISFQDJFGZNFE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14468
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: D99608; Labnumber: NC_0041-1054; SBI_ID: SBI-014471
Temperature 308 °C