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(1S,4R)-1-(Isopropylthiomethyl)-7,7-dimethylbicyclo[2.2.1]heptaN-2-one
SpectraBase Compound ID HoSwueEFH2N
InChI InChI=1S/C13H22OS/c1-9(2)15-8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10-,13-/m0/s1
InChIKey ABVAYNRQRSIINZ-GWCFXTLKSA-N
Mol Weight 226.38 g/mol
Molecular Formula C13H22OS
Exact Mass 226.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K86PfUzENqw
Name (1S,4R)-1-(Isopropylthiomethyl)-7,7-dimethylbicyclo[2.2.1]heptaN-2-one
Alternate Name(s) (1S,4R)-1-((isopropylthio)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one (1R,4S)-7,7-dimethyl-4-[(propan-2-ylthio)methyl]-3-bicyclo[2.2.1]heptanone (1S,4R)-1-(isopropylsulfanylmethyl)-7,7-dimethyl-norbornan-2-one (1R,4S)-7,7-dimethyl-4-(propan-2-ylsulfanylmethyl)bicyclo[2.2.1]heptan-3-one
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Formula C13H22OS
InChI InChI=1S/C13H22OS/c1-9(2)15-8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10-,13-/m0/s1
InChIKey ABVAYNRQRSIINZ-GWCFXTLKSA-N
Molecular Weight 226.378 g/mol
SMILES [C@@]12(C([C@@]([H])(CC2)CC1=O)(C)C)CSC(C)C
SPLASH splash10-003r-1940000000-6e5ea861358ccacd1a45
Source of Spectrum F5-2-1890-4c
Wiley ID 1731878