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1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-methyl-3-[2-(1-methylethoxy)-1-phenylethyl]-, (R*,S*)-(.+-.)-
SpectraBase Compound ID AX0RtX0tXRL
InChI InChI=1S/C20H23NO3/c1-14(2)24-13-18(15-9-5-4-6-10-15)20(23)17-12-8-7-11-16(17)19(22)21(20)3/h4-12,14,18,23H,13H2,1-3H3/t18-,20+/m1/s1
InChIKey JGAXZEKEDNCROL-QUCCMNQESA-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 1Z9xP6nPvtY
Name 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-methyl-3-[2-(1-methylethoxy)-1-phenylethyl]-, (R*,S*)-(.+-.)-
CAS Registry Number 95362-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-14(2)24-13-18(15-9-5-4-6-10-15)20(23)17-12-8-7-11-16(17)19(22)21(20)3/h4-12,14,18,23H,13H2,1-3H3/t18-,20+/m1/s1
InChIKey JGAXZEKEDNCROL-QUCCMNQESA-N
Molecular Weight 325.408 g/mol
SMILES O[C@]1(N(C(=O)c2c1cccc2)C)[C@](COC(C)C)(c1ccccc1)[H]
SPLASH splash10-0w29-0920000000-729c0fdae9e1c8cdcd77
Source of Spectrum J-50-1431-3
Synonyms (3R)-3-hydroxy-3-[(1S)-2-isopropoxy-1-phenylethyl]-2-methyl-2,3-dihydro-1H-isoindol-1-one (R,s and s,R)-3-hydroxy-3-(2-isopropoxy-1-phenylethyl)-2-methylisoindolin-1-one
Wiley ID 1324158