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3-Perfluorohexyl-2-propenyl pivalate
SpectraBase Compound ID 8f6Alg7H3mZ
InChI InChI=1S/C14H13F13O2/c1-8(2,3)7(28)29-6-4-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-5H,6H2,1-3H3/b5-4+
InChIKey MRBFGIQQMNLBBT-SNAWJCMRSA-N
Mol Weight 460.24 g/mol
Molecular Formula C14H13F13O2
Exact Mass 460.070796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5Ez1aACr9g
Name 3-Perfluorohexyl-2-propenyl pivalate
Appearance Brown oil
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Exact Mass 460.070795776 u
Formula C14H13F13O2
InChI InChI=1S/C14H13F13O2/c1-8(2,3)7(28)29-6-4-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-5H,6H2,1-3H3/b5-4+
InChIKey MRBFGIQQMNLBBT-SNAWJCMRSA-N
Instrument Name Agilent 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602252
Molecular Weight 460.235 g/mol
Quality 245
Reported Formula C14H13F13O2
SMILES C(OC(=O)C(C)(C)C)\C=C\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0a4i-9100100000-0c24904273f36a724942
Source of Spectrum ACI-55-SM6-2l (DOI: 10.1002/anie.201602252)
Thin-Layer Chromatography 0.30 (hexane/ethyl acetate, 10:1)
Wiley ID 1900961