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N-[(5-methoxyindol-3-yl)glyoxyloyl]valine, ethyl ester
SpectraBase Compound ID GDMt1LF9QQo
InChI InChI=1S/C18H22N2O5/c1-5-25-18(23)15(10(2)3)20-17(22)16(21)13-9-19-14-7-6-11(24-4)8-12(13)14/h6-10,15,19H,5H2,1-4H3,(H,20,22)
InChIKey RFSNXVJEPPHZQX-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87izfA93M4O
Name N-[(5-Methoxyindol-3-yl)glyoxyloyl]valine, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.152871811 u
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-5-25-18(23)15(10(2)3)20-17(22)16(21)13-9-19-14-7-6-11(24-4)8-12(13)14/h6-10,15,19H,5H2,1-4H3,(H,20,22)
InChIKey RFSNXVJEPPHZQX-UHFFFAOYSA-N
Molecular Weight 346.383 g/mol
SMILES N1C=2C=CC(=CC2C(C(C(NC(C(OCC)=O)C(C)C)=O)=O)=C1)OC