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ethyl 4-[(1,1,2,2,3,3,3-heptafluoropropyl)selanyl]benzoate
SpectraBase Compound ID HzKhrHxEjP5
InChI InChI=1S/C12H9F7O2Se/c1-2-21-9(20)7-3-5-8(6-4-7)22-12(18,19)10(13,14)11(15,16)17/h3-6H,2H2,1H3
InChIKey JHFOYRICBMALGO-UHFFFAOYSA-N
Mol Weight 397.16 g/mol
Molecular Formula C12H9F7O2Se
Exact Mass 397.965599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fbyo6A2QLc
Name ethyl 4-[(1,1,2,2,3,3,3-heptafluoropropyl)selanyl]benzoate
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 397.965598669 u
Formula C12H9F7O2Se
InChI InChI=1S/C12H9F7O2Se/c1-2-21-9(20)7-3-5-8(6-4-7)22-12(18,19)10(13,14)11(15,16)17/h3-6H,2H2,1H3
InChIKey JHFOYRICBMALGO-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201806165
Molecular Weight 397.163 g/mol
Quality 888
Reported Formula C12H10F7O2Se
SMILES C1=C(C=CC(=C1)C(OCC)=O)[Se]C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0uea-1928000000-8cd90a1bdfdc66d1b8e7
Source of Spectrum ACI-57-SM99-4j (DOI: 10.1002/anie.201806165)
Wiley ID 1893314