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4-[4-(3-chlorophenyl)-1-piperazinyl]-9-methoxy-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID KStVBVNXqwJ
InChI InChI=1S/C21H20ClN5O/c1-28-17-7-3-6-16-18(17)19-20(25-16)21(24-13-23-19)27-10-8-26(9-11-27)15-5-2-4-14(22)12-15/h2-7,12-13,25H,8-11H2,1H3
InChIKey VMIYEIYPFGMRNC-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C21H20ClN5O
Exact Mass 393.135638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CRWkPMZIx95
Name 4-[4-(3-chlorophenyl)-1-piperazinyl]-9-methoxy-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/C21H20ClN5O/c1-28-17-7-3-6-16-18(17)19-20(25-16)21(24-13-23-19)27-10-8-26(9-11-27)15-5-2-4-14(22)12-15/h2-7,12-13,25H,8-11H2,1H3
InChIKey VMIYEIYPFGMRNC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3971
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: E00055; Labnumber: SIMAK-02093; SBI_ID: SBI-003973
Synonyms 4-[4-(3-chlorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-9-yl methyl ether
Temperature 318 °C