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3-[HYDROXY-(4-METHOXYPHENYL)-METHYL]-ISOINDOLIN-1-ONE;ALPHA-(R*)-(3R*)-ISOMER
SpectraBase Compound ID KZGJeNQPFgO
InChI InChI=1S/C16H15NO3/c1-20-11-8-6-10(7-9-11)15(18)14-12-4-2-3-5-13(12)16(19)17-14/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
InChIKey RVOJFQNTDSANFL-CABCVRRESA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PDaMK5es2T
Name 3-[HYDROXY-(4-METHOXYPHENYL)-METHYL]-ISOINDOLIN-1-ONE;ALPHA-(R*)-(3R*)-ISOMER
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c1-20-11-8-6-10(7-9-11)15(18)14-12-4-2-3-5-13(12)16(19)17-14/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
InChIKey RVOJFQNTDSANFL-CABCVRRESA-N
Literature Reference Author K.SMITH,G.A.EL-HITI,A.S.HEGAZY,B.KARIUKI
Literature Reference Citation BEIL.J.ORG.CHEM.,7,1219(2011)
Literature Reference DOI 10.3762/bjoc.7.142
Molecular Weight 269.300 g/mol
Solvent DMSO-D6
Source File Reference UWBT9623