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3-quinolinecarboxylic acid, 7-[4-[[(1,3-benzodioxol-5-ylcarbonyl)amino]carbonothioyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-

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3-quinolinecarboxylic acid, 7-[4-[[(1,3-benzodioxol-5-ylcarbonyl)amino]carbonothioyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-
SpectraBase Compound ID CQL8goAPSjk
InChI InChI=1S/C25H23FN4O6S/c1-2-28-12-16(24(33)34)22(31)15-10-17(26)19(11-18(15)28)29-5-7-30(8-6-29)25(37)27-23(32)14-3-4-20-21(9-14)36-13-35-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,33,34)(H,27,32,37)
InChIKey RSFZUPOZBXKQNZ-UHFFFAOYSA-N
Mol Weight 526.54 g/mol
Molecular Formula C25H23FN4O6S
Exact Mass 526.132234 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgE9kbd79LN
Name 3-quinolinecarboxylic acid, 7-[4-[[(1,3-benzodioxol-5-ylcarbonyl)amino]carbonothioyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.132233808 u
Formula C25H23FN4O6S
InChI InChI=1S/C25H23FN4O6S/c1-2-28-12-16(24(33)34)22(31)15-10-17(26)19(11-18(15)28)29-5-7-30(8-6-29)25(37)27-23(32)14-3-4-20-21(9-14)36-13-35-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,33,34)(H,27,32,37)
InChIKey RSFZUPOZBXKQNZ-UHFFFAOYSA-N
Molecular Weight 526.539 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17914
Solvent DMSO-d6
Source Vendor ID: NMR/11280261; Lab Info: OBK; Lab Number: OBK-0004281