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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 8FZVNEkCiDg
Name 1H-Indole-3-propanoic acid
CAS Registry Number 830-96-6
Classification Auxin plant hormone
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 189.214 g/mol
Nominal Mass 189 u
Quality 985
Retention Index 1518
SMILES OC(CCC=1C=2C(NC1)=CC=CC2)=O
SPLASH splash10-001i-3900000000-e30cf0e4ac629c5a7117
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Indolepropionic acid 3-(1H-indol-3-yl)propanoic acid
Technique GC/MS
Wiley ID DD2024_033407