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ethyl 4-[4-(4-nitrophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl ether
SpectraBase Compound ID H50eSS1O8dU
InChI InChI=1S/C22H22N6O3/c1-2-31-17-7-8-19-18(13-17)20-21(25-19)22(24-14-23-20)27-11-9-26(10-12-27)15-3-5-16(6-4-15)28(29)30/h3-8,13-14,25H,2,9-12H2,1H3
InChIKey DPIAVDJGGCSEOF-UHFFFAOYSA-N
Mol Weight 418.46 g/mol
Molecular Formula C22H22N6O3
Exact Mass 418.175339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4FtFkRk892V
Name ethyl 4-[4-(4-nitrophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl ether
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/C22H22N6O3/c1-2-31-17-7-8-19-18(13-17)20-21(25-19)22(24-14-23-20)27-11-9-26(10-12-27)15-3-5-16(6-4-15)28(29)30/h3-8,13-14,25H,2,9-12H2,1H3
InChIKey DPIAVDJGGCSEOF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27491
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: D76859; Labnumber: NC_0041-1088; SBI_ID: SBI-027495
Synonyms 8-ethoxy-4-[4-(4-nitrophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole
Temperature 318 °C