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(1RS,5RS)-1,5-Dimethyl-2-phenylthiobicyclo[3.3.0]octan-3-one
SpectraBase Compound ID KhyPMwQ8kDo
InChI InChI=1S/C16H20OS/c1-15-9-6-10-16(15,2)14(13(17)11-15)18-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKey FYVQTRVDYFZCAQ-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46H6nq2Q1zD
Name (1RS,5RS)-1,5-Dimethyl-2-phenylthiobicyclo[3.3.0]octan-3-one
Alternate Name(s) 3a,6a-dimethyl-1-(phenylsulfanyl)hexahydro-2(1H)-pentalenone
Comments Less than 3 mono-isotopic peaks
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Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-15-9-6-10-16(15,2)14(13(17)11-15)18-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKey FYVQTRVDYFZCAQ-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C12(C(C(CC2(CCC1)C)=O)Sc1ccccc1)C
SPLASH splash10-0002-9040000000-d112dfb8c02715838e62
Source of Spectrum E1-41-33-7
Wiley ID 1551853