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N~1~-[2-nitro-4-(trifluoromethyl)phenyl]-N~3~-[2-(1-pyrrolidinyl)-4-quinazolinyl]-1,3-propanediamine
SpectraBase Compound ID K7p1PjgUrwy
InChI InChI=1S/C22H23F3N6O2/c23-22(24,25)15-8-9-18(19(14-15)31(32)33)26-10-5-11-27-20-16-6-1-2-7-17(16)28-21(29-20)30-12-3-4-13-30/h1-2,6-9,14,26H,3-5,10-13H2,(H,27,28,29)
InChIKey LFRPTUJDLMQGRS-UHFFFAOYSA-N
Mol Weight 460.46 g/mol
Molecular Formula C22H23F3N6O2
Exact Mass 460.183458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FDEafl6nmQs
Name N~1~-[2-nitro-4-(trifluoromethyl)phenyl]-N~3~-[2-(1-pyrrolidinyl)-4-quinazolinyl]-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/C22H23F3N6O2/c23-22(24,25)15-8-9-18(19(14-15)31(32)33)26-10-5-11-27-20-16-6-1-2-7-17(16)28-21(29-20)30-12-3-4-13-30/h1-2,6-9,14,26H,3-5,10-13H2,(H,27,28,29)
InChIKey LFRPTUJDLMQGRS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24315
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: D46444; Labnumber: SPKUZ-2465; SBI_ID: SBI-024319
Synonyms N-{3-[2-nitro-4-(trifluoromethyl)anilino]propyl}-N-[2-(1-pyrrolidinyl)-4-quinazolinyl]amine
Temperature 308 °C