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Indole-3-butyric acid

View entire compound with spectra: 6 NMR, 8 FTIR, 3 Raman, and 7 MS (GC)

Indole-3-butyric acid
SpectraBase Compound ID 1SEcCtlnGSq
InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJjQgbPMhw0
Name INDOLE-3-BUTYRIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
Melting Point 124-125.5C
Molecular Weight 203.24
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 4-/3-INDOLYL/-,