![7-[3-(2,4-dihydroxy-5-ethylphenyl)-5-carboxy-4-pyrazolyl]-benzo[b]-1,4-dioxepane](/api/spectrum/547LagLJF8X/structure.png?h=300&w=458 "7-[3-(2,4-dihydroxy-5-ethylphenyl)-5-carboxy-4-pyrazolyl]-benzo[b]-1,4-dioxepane")
| SpectraBase Compound ID | DoMkn1h8tbS |
|---|---|
| InChI | InChI=1S/C21H20N2O6/c1-2-11-8-13(15(25)10-14(11)24)19-18(20(21(26)27)23-22-19)12-4-5-16-17(9-12)29-7-3-6-28-16/h4-5,8-10,24-25H,2-3,6-7H2,1H3,(H,22,23)(H,26,27) |
| InChIKey | BBZBAJRODFYLQV-UHFFFAOYSA-N |
| Mol Weight | 396.4 g/mol |
| Molecular Formula | C21H20N2O6 |
| Exact Mass | 396.132136 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 547LagLJF8X |
|---|---|
| Name | 7-[3-(2,4-dihydroxy-5-ethylphenyl)-5-carboxy-4-pyrazolyl]-benzo[b]-1,4-dioxepane |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H20N2O6 |
| InChI | InChI=1S/C21H20N2O6/c1-2-11-8-13(15(25)10-14(11)24)19-18(20(21(26)27)23-22-19)12-4-5-16-17(9-12)29-7-3-6-28-16/h4-5,8-10,24-25H,2-3,6-7H2,1H3,(H,22,23)(H,26,27) |
| InChIKey | BBZBAJRODFYLQV-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-300 |
| NMR Standard | DMSO-d5 1H |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-d6 |