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8-ethoxy-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 8E1uLZe9rxA
InChI InChI=1S/C23H22F3N5O/c1-2-32-17-6-7-19-18(13-17)20-21(29-19)22(28-14-27-20)31-10-8-30(9-11-31)16-5-3-4-15(12-16)23(24,25)26/h3-7,12-14,29H,2,8-11H2,1H3
InChIKey GSRQWKPANNRABX-UHFFFAOYSA-N
Mol Weight 441.46 g/mol
Molecular Formula C23H22F3N5O
Exact Mass 441.177645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GO51v52dPOs
Name 8-ethoxy-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-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/C23H22F3N5O/c1-2-32-17-6-7-19-18(13-17)20-21(29-19)22(28-14-27-20)31-10-8-30(9-11-31)16-5-3-4-15(12-16)23(24,25)26/h3-7,12-14,29H,2,8-11H2,1H3
InChIKey GSRQWKPANNRABX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27489
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: D76857; Labnumber: NC_0041-1084; SBI_ID: SBI-027493
Synonyms ethyl 4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-5H-pyrimido[5,4-b]indol-8-yl ether
Temperature 318 °C