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1H-Indole-1-propanoic acid, 3-(ethoxycarbonyl)-5-methoxy-2-methyl-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Indole-1-propanoic acid, 3-(ethoxycarbonyl)-5-methoxy-2-methyl-, methyl ester
SpectraBase Compound ID FgEgdgD7kLA
InChI InChI=1S/C17H21NO5/c1-5-23-17(20)16-11(2)18(9-8-15(19)22-4)14-7-6-12(21-3)10-13(14)16/h6-7,10H,5,8-9H2,1-4H3
InChIKey KXLKSAHVRNSUFW-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFkD9iAZWCa
Name 1H-Indole-1-propanoic acid, 3-(ethoxycarbonyl)-5-methoxy-2-methyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.141972775 u
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-5-23-17(20)16-11(2)18(9-8-15(19)22-4)14-7-6-12(21-3)10-13(14)16/h6-7,10H,5,8-9H2,1-4H3
InChIKey KXLKSAHVRNSUFW-UHFFFAOYSA-N
Molecular Weight 319.357 g/mol
SMILES CCOC(=O)C1=C(N(C=2C=CC(=CC12)OC)CCC(OC)=O)C