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1H-Isoindole-1-thione, 3-amino-6-(2,2-dimethylpropoxy)-
SpectraBase Compound ID KXcvLFqOe9q
InChI InChI=1S/C13H16N2OS/c1-13(2,3)7-16-8-4-5-9-10(6-8)12(17)15-11(9)14/h4-6H,7H2,1-3H3,(H2,14,15,17)
InChIKey GFTGBALBOHZQLA-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKCcNpPpiSb
Name 1H-Isoindole-1-thione, 3-amino-6-(2,2-dimethylpropoxy)-
CAS Registry Number 117052-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-13(2,3)7-16-8-4-5-9-10(6-8)12(17)15-11(9)14/h4-6H,7H2,1-3H3,(H2,14,15,17)
InChIKey GFTGBALBOHZQLA-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES N1C(c2ccc(cc2C1=S)OCC(C)(C)C)=N
SPLASH splash10-0096-9430000000-1115a87d32139ad11a35
Source of Spectrum I-66-1062-10
Synonyms 1-Imino-5-neopentyloxy-3-thioisoindoline 3-imino-6-(neopentyloxy)-1-isoindolinethione
Wiley ID 1250910