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4-oxo-6-{[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl}-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID JsGfYaFl5HD
InChI InChI=1S/C18H17N5O5S/c24-16-13-10-12(2-3-15(13)21-11-14(16)17(25)26)29(27,28)23-8-6-22(7-9-23)18-19-4-1-5-20-18/h1-5,10-11H,6-9H2,(H,21,24)(H,25,26)
InChIKey AQRNQQBRPQLBJN-UHFFFAOYSA-N
Mol Weight 415.42 g/mol
Molecular Formula C18H17N5O5S
Exact Mass 415.09504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K2DSJAs1SEI
Name 4-oxo-6-{[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl}-1,4-dihydro-3-quinolinecarboxylic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.095039836 u
Formula C18H17N5O5S
InChI InChI=1S/C18H17N5O5S/c24-16-13-10-12(2-3-15(13)21-11-14(16)17(25)26)29(27,28)23-8-6-22(7-9-23)18-19-4-1-5-20-18/h1-5,10-11H,6-9H2,(H,21,24)(H,25,26)
InChIKey AQRNQQBRPQLBJN-UHFFFAOYSA-N
Molecular Weight 415.424 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1499
Solvent DMSO-d6
Source Vendor ID: NMR/12269933