![4-{2-[(p-Chlorophenethyl)methylamino]ethyl}pyrocatechol, fumarate](/api/spectrum/JqMi4EaTPjX/structure.png?h=300&w=458 "4-{2-[(p-Chlorophenethyl)methylamino]ethyl}pyrocatechol, fumarate")
| SpectraBase Compound ID | 6vU9bMLg23h |
|---|---|
| InChI | InChI=1S/C17H20ClNO2.C4H4O4/c1-19(10-8-13-2-5-15(18)6-3-13)11-9-14-4-7-16(20)17(21)12-14;5-3(6)1-2-4(7)8/h2-7,12,20-21H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | ZIWPSFNOLLGOIB-WLHGVMLRSA-N |
| Mol Weight | 421.88 g/mol |
| Molecular Formula | C21H24ClNO6 |
| Exact Mass | 421.129215 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqMi4EaTPjX |
|---|---|
| Name | 4-{2-[(p-chlorophenethyl)methylamino]ethyl}pyrocatechol, fumarate |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24ClNO6 |
| InChI | InChI=1S/C17H20ClNO2.C4H4O4/c1-19(10-8-13-2-5-15(18)6-3-13)11-9-14-4-7-16(20)17(21)12-14;5-3(6)1-2-4(7)8/h2-7,12,20-21H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | ZIWPSFNOLLGOIB-WLHGVMLRSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35110M |
| Solvent | Polysol |