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3-(2-Ethoxy-1-methyl-1-phenylethyl)-3-hydroxyisoindolin-1-one, diastereomer a
SpectraBase Compound ID 5jgEyIBvzmE
InChI InChI=1S/C19H21NO3/c1-3-23-13-18(2,14-9-5-4-6-10-14)19(22)16-12-8-7-11-15(16)17(21)20-19/h4-12,22H,3,13H2,1-2H3,(H,20,21)
InChIKey ZJMMMQXJLDDGKA-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrzdtP5RaDG
Name 3-(2-Ethoxy-1-methyl-1-phenylethyl)-3-hydroxyisoindolin-1-one, diastereomer a
Alternate Name(s) 3-(2-Ethoxy-1-methyl-1-phenylethyl)-3-hydroxy-1-isoindolinone
CAS Registry Number 95362-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-23-13-18(2,14-9-5-4-6-10-14)19(22)16-12-8-7-11-15(16)17(21)20-19/h4-12,22H,3,13H2,1-2H3,(H,20,21)
InChIKey ZJMMMQXJLDDGKA-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES N1C(c2c(C1(C(c1ccccc1)(COCC)C)O)cccc2)=O
SPLASH splash10-014i-0900000000-3d8c9c5a2ba44d20a39f
Source of Spectrum J-50-1433-14
Wiley ID 1312589