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1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-3-[1-methyl-2-(1-methylethoxy)-1-phenylethyl]-, (R*,R*)-(.+-.)-
SpectraBase Compound ID GBljIBaXMLs
InChI InChI=1S/C20H23NO3/c1-14(2)24-13-19(3,15-9-5-4-6-10-15)20(23)17-12-8-7-11-16(17)18(22)21-20/h4-12,14,23H,13H2,1-3H3,(H,21,22)/t19-,20+/m0/s1
InChIKey DXXGGTRVFVQRBV-VQTJNVASSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6REH0DmNRqD
Name 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-3-[1-methyl-2-(1-methylethoxy)-1-phenylethyl]-, (R*,R*)-(.+-.)-
CAS Registry Number 95363-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-14(2)24-13-19(3,15-9-5-4-6-10-15)20(23)17-12-8-7-11-16(17)18(22)21-20/h4-12,14,23H,13H2,1-3H3,(H,21,22)/t19-,20+/m0/s1
InChIKey DXXGGTRVFVQRBV-VQTJNVASSA-N
Molecular Weight 325.408 g/mol
SMILES N1C(c2c([C@]1([C@@](COC(C)C)(c1ccccc1)C)O)cccc2)=O
SPLASH splash10-014i-0900000000-7def020f63b1347fadfa
Source of Spectrum J-50-1433-15
Synonyms 3-Hydroxy-3-(2-isopropoxy-1-methyl-1-phentlethyl)isoindolin-1-one, diastereomer b (3R)-3-hydroxy-3-[(1R)-2-isopropoxy-1-methyl-1-phenylethyl]-2,3-dihydro-1H-isoindol-1-one 3-Hydroxy-3-(2-isopropoxy-1-methyl-1-phenylethyl)isoindolin-1-one, diastereomer A
Wiley ID 1324161