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3-[HYDROXY-(4-METHOXYPHENYL)-METHYL]-6-METHYL-ISOINDOLIN-1-ONE;ALPHA-(R*)-(3R*)-ISOMER
SpectraBase Compound ID 5TkzmNm6Ws2
InChI InChI=1S/C17H17NO3/c1-10-3-8-13-14(9-10)17(20)18-15(13)16(19)11-4-6-12(21-2)7-5-11/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16+/m1/s1
InChIKey ZBQJDTFWSNYVIM-CVEARBPZSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLh5Uc5cvet
Name 3-[HYDROXY-(4-METHOXYPHENYL)-METHYL]-6-METHYL-ISOINDOLIN-1-ONE;ALPHA-(R*)-(3R*)-ISOMER
Compound Number 40B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-10-3-8-13-14(9-10)17(20)18-15(13)16(19)11-4-6-12(21-2)7-5-11/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16+/m1/s1
InChIKey ZBQJDTFWSNYVIM-CVEARBPZSA-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 283.327 g/mol
Solvent DMSO-D6
Source File Reference UWBT9641