![6-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid](/api/spectrum/9hu4pD3uJOG/structure.png?h=300&w=458 "6-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid")
| SpectraBase Compound ID | KCOjSSlNvHV |
|---|---|
| InChI | InChI=1S/C18H17N3O7S2/c19-29(25,26)12-3-1-11(2-4-12)7-8-21-30(27,28)13-5-6-16-14(9-13)17(22)15(10-20-16)18(23)24/h1-6,9-10,21H,7-8H2,(H,20,22)(H,23,24)(H2,19,25,26) |
| InChIKey | PXYLCFGKVQMYGX-UHFFFAOYSA-N |
| Mol Weight | 451.47 g/mol |
| Molecular Formula | C18H17N3O7S2 |
| Exact Mass | 451.050792 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 9hu4pD3uJOG |
|---|---|
| Name | 6-[({2-[4-(aminosulfonyl)phenyl]ethyl}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 | 451.050792240 u |
| Formula | C18H17N3O7S2 |
| InChI | InChI=1S/C18H17N3O7S2/c19-29(25,26)12-3-1-11(2-4-12)7-8-21-30(27,28)13-5-6-16-14(9-13)17(22)15(10-20-16)18(23)24/h1-6,9-10,21H,7-8H2,(H,20,22)(H,23,24)(H2,19,25,26) |
| InChIKey | PXYLCFGKVQMYGX-UHFFFAOYSA-N |
| Molecular Weight | 451.468 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1509 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12269949 |