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2-(4-Methylsulfinylbutyl)isoindole-1,3-dione
SpectraBase Compound ID Flm1HzagDP1
InChI InChI=1S/C13H15NO3S/c1-18(17)9-5-4-8-14-12(15)10-6-2-3-7-11(10)13(14)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey WQSMYMXLTSMQNA-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GQAeeosKza
Name 2-(4-Methylsulfinylbutyl)isoindole-1,3-dione
Alternate Name(s) 2-(4-Methylsulfinylbutyl)isoindoline-1,3-dione 2-(4-Methylsulfinylbutyl)isoindoline-1,3-quinone
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Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c1-18(17)9-5-4-8-14-12(15)10-6-2-3-7-11(10)13(14)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey WQSMYMXLTSMQNA-UHFFFAOYSA-N
Molecular Weight 265.327 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCCCS(=O)C)=O
SPLASH splash10-03di-0940000000-77405fe84faaa5d50c95
Source of Spectrum QC-6-1573-6
Wiley ID 868863