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1-{3-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl}-2-pyrrolidinone
SpectraBase Compound ID CuxpXAyyToS
InChI InChI=1S/C17H18FN5O/c18-11-4-5-13-12(9-11)15-16(22-13)17(21-10-20-15)19-6-2-8-23-7-1-3-14(23)24/h4-5,9-10,22H,1-3,6-8H2,(H,19,20,21)
InChIKey AURQVAFHVHTTEQ-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C17H18FN5O
Exact Mass 327.149538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 24bJfmhLCvd
Name 1-{3-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl}-2-pyrrolidinone
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/C17H18FN5O/c18-11-4-5-13-12(9-11)15-16(22-13)17(21-10-20-15)19-6-2-8-23-7-1-3-14(23)24/h4-5,9-10,22H,1-3,6-8H2,(H,19,20,21)
InChIKey AURQVAFHVHTTEQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21794
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: D55756; Labnumber: SC_0311-1315; SBI_ID: SBI-021798
Temperature 315 °C