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1H-Isoindole-1-thione, 3-amino-5-(2,2-dimethylpropoxy)-
SpectraBase Compound ID 8hRQvwB7NIZ
InChI InChI=1S/C13H16N2OS/c1-13(2,3)7-16-8-4-5-9-10(6-8)11(14)15-12(9)17/h4-6H,7H2,1-3H3,(H2,14,15,17)
InChIKey ZLTIPZIDQFOYJA-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 InDEd9i7HlX
Name 1H-Isoindole-1-thione, 3-amino-5-(2,2-dimethylpropoxy)-
CAS Registry Number 117052-54-7
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)11(14)15-12(9)17/h4-6H,7H2,1-3H3,(H2,14,15,17)
InChIKey ZLTIPZIDQFOYJA-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES N1C(c2ccc(cc2C1=N)OCC(C)(C)C)=S
SPLASH splash10-002b-4690000000-03352e9f16ae8be9771e
Source of Spectrum I-66-1062-9
Synonyms 1-Imino-6-neopentyloxy-3-thioisoindoline 3-imino-5-(neopentyloxy)-1-isoindolinethione
Wiley ID 1250909