![4-[2-(methylphenethylamino)ethyl]pyrocatechol, fumarate(2:1)(salt)](/api/spectrum/2Qfaco4SuTt/structure.png?h=300&w=458 "4-[2-(methylphenethylamino)ethyl]pyrocatechol, fumarate(2:1)(salt)")
| SpectraBase Compound ID | 2pLcTHzztHs |
|---|---|
| InChI | InChI=1S/2C17H21NO2.C4H4O4/c2*1-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h2*2-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChIKey | SCMIIIRAZKDUEO-WXXKFALUSA-N |
| Mol Weight | 658.79 g/mol |
| Molecular Formula | C38H46N2O8 |
| Exact Mass | 658.325416 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Qfaco4SuTt |
|---|---|
| Name | 4-[2-(methylphenethylamino)ethyl]pyrocatechol, fumarate(2:1)(salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H29NO10 |
| InChI | InChI=1S/2C17H21NO2.C4H4O4/c2*1-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h2*2-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChIKey | SCMIIIRAZKDUEO-WXXKFALUSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35109M |
| Solvent | Polysol |