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9-chloro-4-[4-(4-fluorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole

View entire compound with spectra: 1 NMR

9-chloro-4-[4-(4-fluorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 5CAGoUzzGPH
InChI InChI=1S/C20H17ClFN5/c21-15-2-1-3-16-17(15)18-19(25-16)20(24-12-23-18)27-10-8-26(9-11-27)14-6-4-13(22)5-7-14/h1-7,12,25H,8-11H2
InChIKey VYKVKXSFYUEJNC-UHFFFAOYSA-N
Mol Weight 381.84 g/mol
Molecular Formula C20H17ClFN5
Exact Mass 381.115651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ABHQT5Q8nf2
Name 9-chloro-4-[4-(4-fluorophenyl)-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/C20H17ClFN5/c21-15-2-1-3-16-17(15)18-19(25-16)20(24-12-23-18)27-10-8-26(9-11-27)14-6-4-13(22)5-7-14/h1-7,12,25H,8-11H2
InChIKey VYKVKXSFYUEJNC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3951
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: E00025; Labnumber: SIMAK-02063; SBI_ID: SBI-003953
Temperature 318 °C