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7-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

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7-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID 8c4chJWMlyr
InChI InChI=1S/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)
InChIKey CEHCYCHNPNBEBY-UHFFFAOYSA-N
Mol Weight 498.53 g/mol
Molecular Formula C24H23FN4O5S
Exact Mass 498.137319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DwKLIX49M8
Name 7-{4-[(1,3-benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
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/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)
InChIKey CEHCYCHNPNBEBY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24524
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: D47588; Labnumber: NCOBK-0525; SBI_ID: SBI-024528
Temperature 318 °C