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2-t-Butyl-5,6-dihydro-3-thioacetyl-2H-naphtho[1,2-b]thiopyran
SpectraBase Compound ID JWBoMJGJHMw
InChI InChI=1S/C19H22S2/c1-12(20)16-11-14-10-9-13-7-5-6-8-15(13)17(14)21-18(16)19(2,3)4/h5-8,11,18H,9-10H2,1-4H3
InChIKey RELRTZMCNIANPQ-UHFFFAOYSA-N
Mol Weight 314.51 g/mol
Molecular Formula C19H22S2
Exact Mass 314.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZMmVd8giGU
Name 2-t-Butyl-5,6-dihydro-3-thioacetyl-2H-naphtho[1,2-b]thiopyran
Alternate Name(s) 1-(2-tert-butyl-5,6-dihydro-2H-naphtho[1,2-b]thiopyran-3-yl)ethanethione
Comments Less than 3 mono-isotopic peaks
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Formula C19H22S2
InChI InChI=1S/C19H22S2/c1-12(20)16-11-14-10-9-13-7-5-6-8-15(13)17(14)21-18(16)19(2,3)4/h5-8,11,18H,9-10H2,1-4H3
InChIKey RELRTZMCNIANPQ-UHFFFAOYSA-N
Molecular Weight 314.505 g/mol
SMILES C1=2SC(C(C)(C)C)C(=CC2CCc2c1cccc2)C(=S)C
SPLASH splash10-0a4i-0091000000-210ecad96b5e8573a8ba
Source of Spectrum AJ-66-2127-2
Wiley ID 771983