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4-[4-(4-chlorophenyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole

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4-[4-(4-chlorophenyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 7CUN35YgEIR
InChI InChI=1S/C22H22ClN5O/c1-2-29-17-7-8-19-18(13-17)20-21(26-19)22(25-14-24-20)28-11-9-27(10-12-28)16-5-3-15(23)4-6-16/h3-8,13-14,26H,2,9-12H2,1H3
InChIKey ZOJWXNWDXGMVFD-UHFFFAOYSA-N
Mol Weight 407.91 g/mol
Molecular Formula C22H22ClN5O
Exact Mass 407.151288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1lTjMuZHTTO
Name 4-[4-(4-chlorophenyl)-1-piperazinyl]-8-ethoxy-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/C22H22ClN5O/c1-2-29-17-7-8-19-18(13-17)20-21(26-19)22(25-14-24-20)28-11-9-27(10-12-28)16-5-3-15(23)4-6-16/h3-8,13-14,26H,2,9-12H2,1H3
InChIKey ZOJWXNWDXGMVFD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27490
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: D76858; Labnumber: NC_0041-1086; SBI_ID: SBI-027494
Synonyms 4-[4-(4-chlorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl ethyl ether
Temperature 318 °C