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2-(2,3-dimethyl-2-butenyl)-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
SpectraBase Compound ID Ly74dPuijwk
InChI InChI=1S/C16H19NS/c1-11(2)12(3)8-14-9-13(10-17)15-6-4-5-7-16(15)18-14/h4-8,11,13-14H,9H2,1-3H3/b12-8-
InChIKey UCYPFPSKQWQSOF-WQLSENKSSA-N
Mol Weight 257.39 g/mol
Molecular Formula C16H19NS
Exact Mass 257.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBdenwWcRAf
Name 2-(2,3-dimethyl-2-butenyl)-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
Alternate Name(s) 2-(2,3-dimethylbut-2-enyl)-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile 2-(2,3-dimethylbut-2-enyl)-3,4-dihydro-2H-thiochromene-4-carbonitrile 2-(2,3-dimethylbut-2-enyl)thiochroman-4-carbonitrile 2-(2,3-dimethylbut-2-enyl)thiochromane-4-carbonitrile 4-Cyano-2-((Z)-2,3-dimethylbut-2-enyl)-3,4-dihydro-2H]-[1]benzothiopyran 4-Cyano-2-(2,3-dimethylbut-2-enyl)-3,4-dihydro-2H]-[1]benzothiopyran
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NS
InChI InChI=1S/C16H19NS/c1-11(2)12(3)8-14-9-13(10-17)15-6-4-5-7-16(15)18-14/h4-8,11,13-14H,9H2,1-3H3/b12-8-
InChIKey UCYPFPSKQWQSOF-WQLSENKSSA-N
Molecular Weight 257.395 g/mol
SMILES c12SC(CC(c2cccc1)C#N)\C=C/(C(C)C)C
SPLASH splash10-00di-0920000000-bcaa74d195a02c810b1d
Source of Spectrum KC-0-2235-10
Wiley ID 786317