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3-[(trifluoromethyl)selanyl]prop-2-yn-1-yl benzoate
SpectraBase Compound ID EZVHrSUuJG1
InChI InChI=1S/C11H7F3O2Se/c12-11(13,14)17-8-4-7-16-10(15)9-5-2-1-3-6-9/h1-3,5-6H,7H2
InChIKey UUWXVOMHRPGVBY-UHFFFAOYSA-N
Mol Weight 307.14 g/mol
Molecular Formula C11H7F3O2Se
Exact Mass 307.956336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gNzFPAg22P
Name 3-[(trifluoromethyl)selanyl]prop-2-yn-1-yl benzoate
Appearance Yellow liquid
Carrier Gas Helium
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Exact Mass 307.956335952 u
Formula C11H7F3O2Se
GC Column HP-5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C11H7F3O2Se/c12-11(13,14)17-8-4-7-16-10(15)9-5-2-1-3-6-9/h1-3,5-6H,7H2
InChIKey UUWXVOMHRPGVBY-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-Agilent HP-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702028
Molecular Weight 307.142 g/mol
Quality 633
SMILES C([Se]C#CCOC(C1=CC=CC=C1)=O)(F)(F)F
SPLASH splash10-0a4i-2920000000-956f86ea8a8ee3cfa83a
Source of Spectrum QE-23-SM4-2h (DOI: 10.1002/chem.201702028)
Wiley ID 1905590