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TMC-205;(E)-6-(3-METHYL-1,3-BUTADIENYL)-1H-INDOLE-3-CARBOXYLIC-ACID

View entire compound with spectra: 1 NMR

TMC-205;(E)-6-(3-METHYL-1,3-BUTADIENYL)-1H-INDOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 9lrxx8D1oTM
InChI InChI=1S/C14H13NO2/c1-9(2)3-4-10-5-6-11-12(14(16)17)8-15-13(11)7-10/h3-8,15H,1H2,2H3,(H,16,17)/b4-3+
InChIKey DGRQZYNJXNNHBY-ONEGZZNKSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FG2oUpaNkj7
Name TMC-205;(E)-6-(3-METHYL-1,3-BUTADIENYL)-1H-INDOLE-3-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-9(2)3-4-10-5-6-11-12(14(16)17)8-15-13(11)7-10/h3-8,15H,1H2,2H3,(H,16,17)/b4-3+
InChIKey DGRQZYNJXNNHBY-ONEGZZNKSA-N
Literature Reference Author M.SAKURAI,J.KOHNO,M.NISHIO,K.YAMAMOTO,T.OKUDA,K.KAWANO,N.NAK ANISHI
Literature Reference Citation J.ANTIBIOTICS,54,628(2001)
Literature Reference DOI 10.7164/antibiotics.54.628
Molecular Weight 227.263 g/mol
Solvent Unknown
Source File Reference UWSI2032