![3-({4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}methyl)-1H-indoleoxalate](/api/spectrum/JbGyoFpXL2K/structure.png?h=300&w=458 "3-({4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}methyl)-1H-indoleoxalate")
| SpectraBase Compound ID | 57aEtSnTCUs |
|---|---|
| InChI | InChI=1S/C20H23N3O2S.C2H2O4/c1-16-6-8-18(9-7-16)26(24,25)23-12-10-22(11-13-23)15-17-14-21-20-5-3-2-4-19(17)20;3-1(4)2(5)6/h2-9,14,21H,10-13,15H2,1H3;(H,3,4)(H,5,6) |
| InChIKey | MQMRNRUNURQEFH-UHFFFAOYSA-N |
| Mol Weight | 459.52 g/mol |
| Molecular Formula | C22H25N3O6S |
| Exact Mass | 459.146407 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JbGyoFpXL2K |
|---|---|
| Name | 3-({4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}methyl)-1H-indoleoxalate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.146406705 u |
| Formula | C22H25N3O6S |
| InChI | InChI=1S/C20H23N3O2S.C2H2O4/c1-16-6-8-18(9-7-16)26(24,25)23-12-10-22(11-13-23)15-17-14-21-20-5-3-2-4-19(17)20;3-1(4)2(5)6/h2-9,14,21H,10-13,15H2,1H3;(H,3,4)(H,5,6) |
| InChIKey | MQMRNRUNURQEFH-UHFFFAOYSA-N |
| Molecular Weight | 459.517 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_3377 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12289034 |