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1-(4-METHYLTHIOBENZYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC-ACID
SpectraBase Compound ID 6dNH7lkQKQg
InChI InChI=1S/C20H21NO3S/c1-13-17(11-20(22)23)18-10-15(24-2)6-9-19(18)21(13)12-14-4-7-16(25-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKey KGJSFVOSZICATR-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Kxwb7PiBve
Name 1-(4-METHYLTHIOBENZYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-13-17(11-20(22)23)18-10-15(24-2)6-9-19(18)21(13)12-14-4-7-16(25-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKey KGJSFVOSZICATR-UHFFFAOYSA-N
Literature Reference Author A.R.MAGUIRE,S.J.PLUNKETT,S.PAPOT,M.CLYNES,R.O.CONNOR,S.TOUHE Y
Literature Reference Citation BIOORG.MED.CHEM.,9,745(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00292-3
Molecular Weight 355.452 g/mol
Solvent CDCl3
Source File Reference UWLU21848