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(1H-Indol-3-yl)-acetic acid 2-(2-1H-indol-3-yl-acetoxy)-ethyl ester
SpectraBase Compound ID BhHIzbKOxFY
InChI InChI=1S/C22H20N2O4/c25-21(11-15-13-23-19-7-3-1-5-17(15)19)27-9-10-28-22(26)12-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKey BLQSJZHGNDVFEX-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3loYRYEzn67
Name (1H-Indol-3-yl)-acetic acid 2-(2-1H-indol-3-yl-acetoxy)-ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.142307128 u
Formula C22H20N2O4
InChI InChI=1S/C22H20N2O4/c25-21(11-15-13-23-19-7-3-1-5-17(15)19)27-9-10-28-22(26)12-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKey BLQSJZHGNDVFEX-UHFFFAOYSA-N
Molecular Weight 376.412 g/mol
SMILES C1(=CNC2=C1C=CC=C2)CC(=O)OCCOC(CC1=CNC2=C1C=CC=C2)=O