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3,3-dimethyl-4,5-dihydro-1H-2-benzothiepin

View entire compound with spectra: 1 MS (GC)

3,3-dimethyl-4,5-dihydro-1H-2-benzothiepin
SpectraBase Compound ID KCwX5E3YZ9x
InChI InChI=1S/C12H16S/c1-12(2)8-7-10-5-3-4-6-11(10)9-13-12/h3-6H,7-9H2,1-2H3
InChIKey DUSOKOPPIWTPAG-UHFFFAOYSA-N
Mol Weight 192.32 g/mol
Molecular Formula C12H16S
Exact Mass 192.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewluk1Yl3HG
Name 3,3-dimethyl-4,5-dihydro-1H-2-benzothiepin
Comments Less than 3 mono-isotopic peaks
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Formula C12H16S
InChI InChI=1S/C12H16S/c1-12(2)8-7-10-5-3-4-6-11(10)9-13-12/h3-6H,7-9H2,1-2H3
InChIKey DUSOKOPPIWTPAG-UHFFFAOYSA-N
Molecular Weight 192.320 g/mol
SMILES C1(SCc2c(CC1)cccc2)(C)C
SPLASH splash10-0006-0900000000-df950f1e638fa771045f
Source of Spectrum J-61-1861-7
Synonyms 3,3-dimethyl-4,5-dihydro-1H-2-benzothiepine
Wiley ID 1188872