![6-({[4-(methylsulfanyl)benzyl]amino}sulfonyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid](/api/spectrum/8q6GuoJA7Bc/structure.png?h=300&w=458 "6-({[4-(methylsulfanyl)benzyl]amino}sulfonyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid")
| SpectraBase Compound ID | 2jrFWwQeU5h |
|---|---|
| InChI | InChI=1S/C18H16N2O5S2/c1-26-12-4-2-11(3-5-12)9-20-27(24,25)13-6-7-16-14(8-13)17(21)15(10-19-16)18(22)23/h2-8,10,20H,9H2,1H3,(H,19,21)(H,22,23) |
| InChIKey | GFJCABMXZSCGOL-UHFFFAOYSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C18H16N2O5S2 |
| Exact Mass | 404.050064 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8q6GuoJA7Bc |
|---|---|
| Name | 6-({[4-(methylsulfanyl)benzyl]amino}sulfonyl)-4-oxo-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 | 404.050063966 u |
| Formula | C18H16N2O5S2 |
| InChI | InChI=1S/C18H16N2O5S2/c1-26-12-4-2-11(3-5-12)9-20-27(24,25)13-6-7-16-14(8-13)17(21)15(10-19-16)18(22)23/h2-8,10,20H,9H2,1H3,(H,19,21)(H,22,23) |
| InChIKey | GFJCABMXZSCGOL-UHFFFAOYSA-N |
| Molecular Weight | 404.455 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1504 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12269943 |