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9-methoxy-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID D6XM1RtrUn1
InChI InChI=1S/C22H20F3N5O/c1-31-17-7-3-6-16-18(17)19-20(28-16)21(27-13-26-19)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(23,24)25/h2-7,12-13,28H,8-11H2,1H3
InChIKey BHLCRCBTFWUYFI-UHFFFAOYSA-N
Mol Weight 427.43 g/mol
Molecular Formula C22H20F3N5O
Exact Mass 427.161995 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KOssjPkCSEB
Name 9-methoxy-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/C22H20F3N5O/c1-31-17-7-3-6-16-18(17)19-20(28-16)21(27-13-26-19)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(23,24)25/h2-7,12-13,28H,8-11H2,1H3
InChIKey BHLCRCBTFWUYFI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3968
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: E00052; Labnumber: SIMAK-02090; SBI_ID: SBI-003970
Synonyms methyl 4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-5H-pyrimido[5,4-b]indol-9-yl ether
Temperature 318 °C