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5,7-bis(isopropylsulfanyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID Ceq48V2ExYr
InChI InChI=1S/C17H22S2/c1-12(2)18-16-9-5-7-14-8-6-10-17(15(16)11-14)19-13(3)4/h5-10,12-13H,11H2,1-4H3
InChIKey CXMWNHZSYRAPFW-UHFFFAOYSA-N
Mol Weight 290.48 g/mol
Molecular Formula C17H22S2
Exact Mass 290.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EH3wVKjA2f
Name 5,7-bis(isopropylsulfanyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Alternate Name(s) 5,7-bis(isopropylthio)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 5,7-bis(propan-2-ylsulfanyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 5,7-bis(propan-2-ylthio)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
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Formula C17H22S2
InChI InChI=1S/C17H22S2/c1-12(2)18-16-9-5-7-14-8-6-10-17(15(16)11-14)19-13(3)4/h5-10,12-13H,11H2,1-4H3
InChIKey CXMWNHZSYRAPFW-UHFFFAOYSA-N
Molecular Weight 290.483 g/mol
SMILES C12=C(SC(C)C)C=CC=C(C2)C=CC=C1SC(C)C
SPLASH splash10-006w-0390000000-0bf358bc1e5083c7ec17
Source of Spectrum H-80-136-5
Wiley ID 1293787