![4-[2-(phenethylpropylamino)ethyl]pyrocatechol, dibenzoate(ester), fumarate(1:1)(salt)](/api/spectrum/4MBhIFSSuO5/structure.png?h=300&w=458 "4-[2-(phenethylpropylamino)ethyl]pyrocatechol, dibenzoate(ester), fumarate(1:1)(salt)")
| SpectraBase Compound ID | ViwsuSeBcL |
|---|---|
| InChI | InChI=1S/C33H33NO4.C4H4O4/c1-2-22-34(23-20-26-12-6-3-7-13-26)24-21-27-18-19-30(37-32(35)28-14-8-4-9-15-28)31(25-27)38-33(36)29-16-10-5-11-17-29;5-3(6)1-2-4(7)8/h3-19,25H,2,20-24H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | HVQAADFNEMYXCI-WLHGVMLRSA-N |
| Mol Weight | 623.7 g/mol |
| Molecular Formula | C37H37NO8 |
| Exact Mass | 623.251917 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MBhIFSSuO5 |
|---|---|
| Name | 4-[2-(phenethylpropylamino)ethyl]pyrocatechol, dibenzoate(ester), fumarate(1:1)(salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H37NO8 |
| InChI | InChI=1S/C33H33NO4.C4H4O4/c1-2-22-34(23-20-26-12-6-3-7-13-26)24-21-27-18-19-30(37-32(35)28-14-8-4-9-15-28)31(25-27)38-33(36)29-16-10-5-11-17-29;5-3(6)1-2-4(7)8/h3-19,25H,2,20-24H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | HVQAADFNEMYXCI-WLHGVMLRSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35114M |
| Solvent | Polysol |