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3-(3-Formyl-1H-indol-2-yl)propanoic acid
SpectraBase Compound ID 8mGdqEF3jVB
InChI InChI=1S/C12H11NO3/c14-7-9-8-3-1-2-4-10(8)13-11(9)5-6-12(15)16/h1-4,7,13H,5-6H2,(H,15,16)
InChIKey QNWGDIOXNGEWAB-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2NqOtrPoLp
Name 3-(3-Formyl-1H-indol-2-yl)propanoic acid
Alternate Name(s) 3-(3-formyl-1H-indol-2-yl)propionic acid 3-(3-Methanoyl-1H-indol-2-yl)propanoic acid Propanoic acid, 3-(3-formyl-2-indolyl)-
CAS Registry Number 309922-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c14-7-9-8-3-1-2-4-10(8)13-11(9)5-6-12(15)16/h1-4,7,13H,5-6H2,(H,15,16)
InChIKey QNWGDIOXNGEWAB-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES [nH]1c2c(c(c1CCC(=O)O)C=O)cccc2
SPLASH splash10-00xu-2910000000-502869d6f55bbe35b35b
Source of Spectrum AD-0-2532-0
Wiley ID 1434103