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3-Hydroxy-2-methyl-3-[1'-(methylsulfanyl)ethyl]-2,3-dihydroisoindol-1-one
SpectraBase Compound ID KFgdquFGydV
InChI InChI=1S/C12H15NO2S/c1-8(16-3)12(15)10-7-5-4-6-9(10)11(14)13(12)2/h4-8,15H,1-3H3
InChIKey PIICAIBVWCHNKU-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gtWgVsQ7mo
Name 3-Hydroxy-2-methyl-3-[1'-(methylsulfanyl)ethyl]-2,3-dihydroisoindol-1-one
Alternate Name(s) 3-Hydroxy-2-methyl-3-[1-(methylsulfanyl)ethyl]-1-isoindolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-8(16-3)12(15)10-7-5-4-6-9(10)11(14)13(12)2/h4-8,15H,1-3H3
InChIKey PIICAIBVWCHNKU-UHFFFAOYSA-N
Molecular Weight 237.317 g/mol
SMILES OC1(N(C(c2ccccc12)=O)C)C(SC)C
SPLASH splash10-03k9-2910000000-8c0640f46ce1467e1825
Source of Spectrum K1-2001-1842-0
Wiley ID 846358