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1-(4-CHLOROBENZYL)-2-METHYLINDOLE-3-ACETIC-ACID

View entire compound with spectra: 1 NMR

1-(4-CHLOROBENZYL)-2-METHYLINDOLE-3-ACETIC-ACID
SpectraBase Compound ID H2EsJ2bQ2De
InChI InChI=1S/C18H16ClNO2/c1-12-16(10-18(21)22)15-4-2-3-5-17(15)20(12)11-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,21,22)
InChIKey HJNFCNKTERPFPH-UHFFFAOYSA-N
Mol Weight 313.78 g/mol
Molecular Formula C18H16ClNO2
Exact Mass 313.086956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tExcKQLdRK
Name 1-(4-CHLOROBENZYL)-2-METHYLINDOLE-3-ACETIC-ACID
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16ClNO2
InChI InChI=1S/C18H16ClNO2/c1-12-16(10-18(21)22)15-4-2-3-5-17(15)20(12)11-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,21,22)
InChIKey HJNFCNKTERPFPH-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 313.784 g/mol
Solvent CDCl3
Source File Reference UWLU21854