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2-[2-(2-Ethyl-1,3,4,9-tetrahydro-$B-carbolin-1-yl)ethyl]malonic acid diethyl ester
SpectraBase Compound ID HFTdh4qWTPp
InChI InChI=1S/C22H30N2O4/c1-4-24-14-13-16-15-9-7-8-10-18(15)23-20(16)19(24)12-11-17(21(25)27-5-2)22(26)28-6-3/h7-10,17,19,23H,4-6,11-14H2,1-3H3
InChIKey ABJWSQVMOYMQNR-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVnDU6bmCPf
Name 2-[2-(2-Ethyl-1,3,4,9-tetrahydro-$B-carbolin-1-yl)ethyl]malonic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.220557450 u
Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c1-4-24-14-13-16-15-9-7-8-10-18(15)23-20(16)19(24)12-11-17(21(25)27-5-2)22(26)28-6-3/h7-10,17,19,23H,4-6,11-14H2,1-3H3
InChIKey ABJWSQVMOYMQNR-UHFFFAOYSA-N
Molecular Weight 386.492 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN(C1CCC(C(=O)OCC)C(=O)OCC)CC