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3-(3-methyl-1H-indol-2-yl)propionic acid

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3-(3-methyl-1H-indol-2-yl)propionic acid
SpectraBase Compound ID Btv9Qa1BXsE
InChI InChI=1S/C12H13NO2/c1-8-9-4-2-3-5-11(9)13-10(8)6-7-12(14)15/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKey MIYSJLNZFHYLCS-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 4MPyNfk4WE9
Name 3-(3-methyl-1H-indol-2-yl)propionic acid
CAS Registry Number 125687-13-0
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-8-9-4-2-3-5-11(9)13-10(8)6-7-12(14)15/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKey MIYSJLNZFHYLCS-UHFFFAOYSA-N
Literature Reference Author R.S.E.CONN,A.W.DOUGLAS,S.KARADY,E.G.CORLEY,A.V.LOVELL,I.SHIN KAI
Literature Reference Citation J.ORG.CHEM.,55,2908(1990)
Literature Reference DOI 10.1021/jo00296a063
Molecular Weight 203.241 g/mol
Solvent CD3OD
Source File Reference UWED10571