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3-[3-(carboxymethyl)-1H-indol-2-yl]propanoic acid
SpectraBase Compound ID 9dPxsXtEtH9
InChI InChI=1S/C13H13NO4/c15-12(16)6-5-11-9(7-13(17)18)8-3-1-2-4-10(8)14-11/h1-4,14H,5-7H2,(H,15,16)(H,17,18)
InChIKey IZRMXIIKIJPLGZ-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tOoXasma5H
Name 3-[3-(carboxymethyl)-1H-indol-2-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c15-12(16)6-5-11-9(7-13(17)18)8-3-1-2-4-10(8)14-11/h1-4,14H,5-7H2,(H,15,16)(H,17,18)
InChIKey IZRMXIIKIJPLGZ-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES [nH]1c2c(c(c1CCC(=O)O)CC(=O)O)cccc2
SPLASH splash10-0k92-0490000000-8d32557b6451544d0e5b
Source of Spectrum C5-2002-1693-10
Synonyms 3-[3-(carboxymethyl)-1H-indol-2-yl]propionic acid
Wiley ID 1614825