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5,5-Dimethyl-3-vinyl-2-cyclohexenyl Thioacetate
SpectraBase Compound ID 2B5Ai1DLMQc
InChI InChI=1S/C12H18OS/c1-5-10-6-11(14-9(2)13)8-12(3,4)7-10/h5-6,11H,1,7-8H2,2-4H3
InChIKey RFAVRFXSFZBODY-UHFFFAOYSA-N
Mol Weight 210.33 g/mol
Molecular Formula C12H18OS
Exact Mass 210.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11zMeWvkYCX
Name 5,5-Dimethyl-3-vinyl-2-cyclohexenyl Thioacetate
Alternate Name(s) O-(5,5-dimethyl-3-vinyl-2-cyclohexen-1-yl) ethanethioate Thioacetic acid S-(5,5-dimethyl-3-vinyl-cyclohex-2-enyl) ester ethanethioic acid S-(3-ethenyl-5,5-dimethyl-1-cyclohex-2-enyl) ester S-(3-ethenyl-5,5-dimethylcyclohex-2-en-1-yl) ethanethioate S-(5,5-dimethyl-3-vinyl-cyclohex-2-en-1-yl) ethanethioate S-(3-ethenyl-5,5-dimethyl-cyclohex-2-en-1-yl) ethanethioate
Comments Less than 3 mono-isotopic peaks
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Formula C12H18OS
InChI InChI=1S/C12H18OS/c1-5-10-6-11(14-9(2)13)8-12(3,4)7-10/h5-6,11H,1,7-8H2,2-4H3
InChIKey RFAVRFXSFZBODY-UHFFFAOYSA-N
Molecular Weight 210.335 g/mol
SMILES C1(=CC(SC(=O)C)CC(C1)(C)C)C=C
SPLASH splash10-000i-0910000000-274e6d546997397ac40c
Source of Spectrum J-59-1629-8
Wiley ID 1209114