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3-(2-aminoethyl)-5-methoxy-1H-indole-2-carboxylic acid
SpectraBase Compound ID 3ydSP9EgE4s
InChI InChI=1S/C12H14N2O3/c1-17-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)
InChIKey FBEQOUNJJYSFJU-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAj9Wjh76SS
Name 3-(2-Aminoethyl)-5-methoxy-1H-indole-2-carboxylic acid
CAS Registry Number 52648-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-17-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)
InChIKey FBEQOUNJJYSFJU-UHFFFAOYSA-N
Molecular Weight 234.255 g/mol
SMILES [nH]1c2ccc(cc2c(c1C(=O)O)CCN)OC
SPLASH splash10-0ap0-2930000000-208b8ca8edd99eadf084
Synonyms 3-(2-ammonioethyl)-5-methoxy-1H-indole-2-carboxylate 3-(2-azaniumylethyl)-5-methoxy-1H-indole-2-carboxylate 3-(2-azanylethyl)-5-methoxy-1H-indole-2-carboxylic acid
Wiley ID 1511379