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N~1~,N~1~-dibutyl-N~3~-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-1,3-propanediamine
SpectraBase Compound ID A4a5V22a9CZ
InChI InChI=1S/C21H30FN5/c1-3-5-11-27(12-6-4-2)13-7-10-23-21-20-19(24-15-25-21)17-14-16(22)8-9-18(17)26-20/h8-9,14-15,26H,3-7,10-13H2,1-2H3,(H,23,24,25)
InChIKey BXECHAKXRVMEFE-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H30FN5
Exact Mass 371.248524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IgQPjzUIKwv
Name N~1~,N~1~-dibutyl-N~3~-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-1,3-propanediamine
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/C21H30FN5/c1-3-5-11-27(12-6-4-2)13-7-10-23-21-20-19(24-15-25-21)17-14-16(22)8-9-18(17)26-20/h8-9,14-15,26H,3-7,10-13H2,1-2H3,(H,23,24,25)
InChIKey BXECHAKXRVMEFE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21786
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: D55748; Labnumber: SC_0311-1295; SBI_ID: SBI-021790
Synonyms N,N-dibutyl-N-{3-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl}amine
Temperature 315 °C