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1-Benzyl-2-(1,2,5,6-tetrahydro-3-ptridyl)indole, maleate(1:1)
SpectraBase Compound ID DcUmdP96DpQ
InChI InChI=1S/C20H20N2.C4H4O4/c1-2-6-16(7-3-1)15-22-19-9-5-4-8-18(19)14-20(22)17-10-12-21-13-11-17;5-3(6)1-2-4(7)8/h1-10,14,21H,11-13,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey URGRYZSKARPCJH-BTJKTKAUSA-N
Mol Weight 404.47 g/mol
Molecular Formula C24H24N2O4
Exact Mass 404.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbCBN8lMK6b
Name 1-Benzyl-2-(1,2,5,6-tetrahydro-3-ptridyl)indole, maleate(1:1)
Comments Computed using HOSE algorithm
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Exact Mass 404.173607257 u
Formula C24H24N2O4
InChI InChI=1S/C20H20N2.C4H4O4/c1-2-6-16(7-3-1)15-22-19-9-5-4-8-18(19)14-20(22)17-10-12-21-13-11-17;5-3(6)1-2-4(7)8/h1-10,14,21H,11-13,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey URGRYZSKARPCJH-BTJKTKAUSA-N
Molecular Weight 404.466 g/mol
SMILES OC(\C=C/C(O)=O)=O.N1CC=C(CC1)C=1N(C=2C=CC=CC2C1)CC=1C=CC=CC1