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8-(Hex-4-yn-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
SpectraBase Compound ID F5Cbmo0KebF
InChI InChI=1S/C15H22S2/c1-2-3-4-5-8-14-9-6-10-15(13-14)16-11-7-12-17-15/h13H,4-12H2,1H3
InChIKey BFHAVVHSCWHALW-UHFFFAOYSA-N
Mol Weight 266.46 g/mol
Molecular Formula C15H22S2
Exact Mass 266.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dO0YnHjTQn
Name 8-(Hex-4-yn-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
Appearance Colorless oil
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Exact Mass 266.116293056 u
Formula C15H22S2
InChI InChI=1S/C15H22S2/c1-2-3-4-5-8-14-9-6-10-15(13-14)16-11-7-12-17-15/h13H,4-12H2,1H3
InChIKey BFHAVVHSCWHALW-UHFFFAOYSA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Molecular Weight 266.461 g/mol
Quality 60
Reported Formula C15H22(32)S2
SMILES C(CCC#CC)C1=CC2(SCCCS2)CCC1
SPLASH splash10-03di-0930000000-f19446d36fcc0d7b59d7
Source of Spectrum ACI-56-SM17-1d (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.31 (P/Et2O, 98:2) [KMnO4]
Wiley ID 1895684