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5-Acetyl-3-(2-aminoethyl)-1H-indole-2-carboxylic acid
SpectraBase Compound ID DUfTjuFuTw5
InChI InChI=1S/C13H14N2O3/c1-7(16)8-2-3-11-10(6-8)9(4-5-14)12(15-11)13(17)18/h2-3,6,15H,4-5,14H2,1H3,(H,17,18)
InChIKey RQXIONIESKZFFC-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57Rp0GpjxjY
Name 5-Acetyl-3-(2-aminoethyl)-1H-indole-2-carboxylic acid
CAS Registry Number 3283-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-7(16)8-2-3-11-10(6-8)9(4-5-14)12(15-11)13(17)18/h2-3,6,15H,4-5,14H2,1H3,(H,17,18)
InChIKey RQXIONIESKZFFC-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES [nH]1c(c(CCN)c2cc(ccc12)C(=O)C)C(=O)O
SPLASH splash10-0006-9210000000-54359b3f7c5b2ce4ac7c
Synonyms 3-(2-azaniumylethyl)-5-ethanoyl-1H-indole-2-carboxylate 3-(2-azanylethyl)-5-ethanoyl-1H-indole-2-carboxylic acid 5-Acetyl-3-(2-aminoethyl)indole-2-carboxylic acid 5-Acetyl-3-(2-ammonioethyl)-1H-indole-2-carboxylate 5-Acetyl-3-(2-azaniumylethyl)-1H-indole-2-carboxylate
Wiley ID 1467782