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8-(Pent-4-yn-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
SpectraBase Compound ID 5aUnyZNhcRv
InChI InChI=1S/C14H20S2/c1-2-3-4-7-13-8-5-9-14(12-13)15-10-6-11-16-14/h1,12H,3-11H2
InChIKey PNWVNCRLGIYFCH-UHFFFAOYSA-N
Mol Weight 252.43 g/mol
Molecular Formula C14H20S2
Exact Mass 252.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5T4Yg42YBXu
Name 8-(Pent-4-yn-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
Appearance Yellowish oil
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Formula C14H20S2
InChI InChI=1S/C14H20S2/c1-2-3-4-7-13-8-5-9-14(12-13)15-10-6-11-16-14/h1,12H,3-11H2
InChIKey PNWVNCRLGIYFCH-UHFFFAOYSA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Molecular Weight 252.434 g/mol
Quality 55
Reported Formula C14H20S2
SMILES C(CCC#C)C1=CC2(SCCCS2)CCC1
SPLASH splash10-0udi-0900000000-047f6c4cc0a8802abaaf
Source of Spectrum ACI-56-SM16-16 (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.21 (P/Et2O, 98:2) [KMnO4]
Wiley ID 1895680