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3-(1H-indol-3-yl)propanoic acid
SpectraBase Compound ID 6lNYDgu9yZO
InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKey GOLXRNDWAUTYKT-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RuMQNppWeC
Name 3-(3-INDOLYL)PROPIONIC ACID
CAS Registry Number 830-96-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 189.078978596 u
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKey GOLXRNDWAUTYKT-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
Nominal Mass 189 u
Number of Peaks 60
SMILES [nH]1cc(CCC(O)=O)c2ccccc12
SPLASH splash10-001i-1900000000-f5eb2f4d090cc99a912c
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 3-(1H-indol-3-yl)propanoic acid
Technique GC/MS
Wiley ID WID_MSPA_4248