SpectraBase Compound ID | pED1TjI3zi |
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InChI | InChI=1S/C21H22N2.C4H4O4/c1-22-13-7-11-19(16-22)21-14-18-10-5-6-12-20(18)23(21)15-17-8-3-2-4-9-17;5-3(6)1-2-4(7)8/h2-6,8-12,14H,7,13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey | KXGRLFZVKKXYKA-BTJKTKAUSA-N |
Mol Weight | 418.49 g/mol |
Molecular Formula | C25H26N2O4 |
Exact Mass | 418.189257 g/mol |
SpectraBase Spectrum ID | GhR7ZHbZVnM |
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Name | 1-benzyl-2-(1,2,5,6-tetrahydro-1-methyl-3-pyridyl)indole, maleate(1:1) |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H26N2O4 |
InChI | InChI=1S/C21H22N2.C4H4O4/c1-22-13-7-11-19(16-22)21-14-18-10-5-6-12-20(18)23(21)15-17-8-3-2-4-9-17;5-3(6)1-2-4(7)8/h2-6,8-12,14H,7,13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey | KXGRLFZVKKXYKA-BTJKTKAUSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 43639M |
Solvent | Polysol-d |