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3-[(1,1,2,2,2-pentafluoroethyl)selanyl]prop-2-yn-1-yl benzoate
SpectraBase Compound ID EefEkzi9q8z
InChI InChI=1S/C12H7F5O2Se/c13-11(14,15)12(16,17)20-8-4-7-19-10(18)9-5-2-1-3-6-9/h1-3,5-6H,7H2
InChIKey LTCRQGHSEYAXEO-UHFFFAOYSA-N
Mol Weight 357.15 g/mol
Molecular Formula C12H7F5O2Se
Exact Mass 357.953142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JagvPBT0ahl
Name 3-[(1,1,2,2,2-pentafluoroethyl)selanyl]prop-2-yn-1-yl benzoate
Appearance Colourless liquid
Carrier Gas Helium
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Exact Mass 357.953142278 u
Formula C12H7F5O2Se
GC Column HP-5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C12H7F5O2Se/c13-11(14,15)12(16,17)20-8-4-7-19-10(18)9-5-2-1-3-6-9/h1-3,5-6H,7H2
InChIKey LTCRQGHSEYAXEO-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-Agilent HP-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702028
Molecular Weight 357.150 g/mol
Quality 566
Reported Formula C12H7F5O2Se
SMILES C([Se]C#CCOC(C1=CC=CC=C1)=O)(C(F)(F)F)(F)F
SPLASH splash10-0a4i-2930000000-838d17f3c8a97ab1cccb
Source of Spectrum QE-23-SM7-4h (DOI: 10.1002/chem.201702028)
Wiley ID 1905594