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1H-Isoindol-1-one, 6-(2,2-dimethylpropoxy)-2,3-dihydro-3-thioxo-
SpectraBase Compound ID FF80mi6lujJ
InChI InChI=1S/C13H15NO2S/c1-13(2,3)7-16-8-4-5-9-10(6-8)11(15)14-12(9)17/h4-6H,7H2,1-3H3,(H,14,15,17)
InChIKey UQTUAYVSUSNKCW-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fga7vl1CUO0
Name 1H-Isoindol-1-one, 6-(2,2-dimethylpropoxy)-2,3-dihydro-3-thioxo-
CAS Registry Number 111153-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c1-13(2,3)7-16-8-4-5-9-10(6-8)11(15)14-12(9)17/h4-6H,7H2,1-3H3,(H,14,15,17)
InChIKey UQTUAYVSUSNKCW-UHFFFAOYSA-N
Molecular Weight 249.328 g/mol
SMILES N1C(c2ccc(cc2C1=O)OCC(C)(C)C)=S
SPLASH splash10-002f-9430000000-22e2794a77dc90d3e0d4
Source of Spectrum I-65-1711-14
Synonyms 2,3-Dihydro-6-(2,2dimethylpropoxy)-3-thioxo-1H-isoindol-1-one 6-(neopentyloxy)-3-thioxo-1-isoindolinone
Wiley ID 1252095