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2H-Isoindole, 1-[(1,1-dimethylethyl)thio]-2-propyl-
SpectraBase Compound ID CXGJVJ9mtXL
InChI InChI=1S/C15H21NS/c1-5-10-16-11-12-8-6-7-9-13(12)14(16)17-15(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKey DHUKQEVUQMZMMD-UHFFFAOYSA-N
Mol Weight 247.4 g/mol
Molecular Formula C15H21NS
Exact Mass 247.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PFkY0qZCA7
Name 2H-Isoindole, 1-[(1,1-dimethylethyl)thio]-2-propyl-
CAS Registry Number 64807-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NS
InChI InChI=1S/C15H21NS/c1-5-10-16-11-12-8-6-7-9-13(12)14(16)17-15(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKey DHUKQEVUQMZMMD-UHFFFAOYSA-N
Molecular Weight 247.400 g/mol
SMILES c1([n](cc2c1cccc2)CCC)SC(C)(C)C
SPLASH splash10-0a4m-6900000000-593b71d916edeee48ac4
Source of Spectrum J-43-2890-0
Synonyms 1-(tert-butylthio)-2-propyl-isoindole 1-tert-Butylsulfanyl-2-propyl-isoindole 1-(tert-butylthio)-2-propylisoindole
Wiley ID 1250203