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(E)-3-(1-benzylindol-3-yl)acrylic acid ethyl ester
SpectraBase Compound ID 8vFTxFDQaz0
InChI InChI=1S/C20H19NO2/c1-2-23-20(22)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-13,15H,2,14H2,1H3/b13-12+
InChIKey UCKJGKYWRBBLIV-OUKQBFOZSA-N
Mol Weight 305.38 g/mol
Molecular Formula C20H19NO2
Exact Mass 305.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HNagIXWFut
Name (E)-3-(1-Benzylindol-3-yl)acrylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.141578854 u
Formula C20H19NO2
InChI InChI=1S/C20H19NO2/c1-2-23-20(22)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-13,15H,2,14H2,1H3/b13-12+
InChIKey UCKJGKYWRBBLIV-OUKQBFOZSA-N
Molecular Weight 305.377 g/mol
SMILES C=1N(C2=C(C1\C=C\C(=O)OCC)C=CC=C2)CC1=CC=CC=C1