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4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl 4-nitrobenzoate
SpectraBase Compound ID 3wDmmNcfBqy
InChI InChI=1S/C16H10F13NO4/c17-11(18,6-1-7-34-10(31)8-2-4-9(5-3-8)30(32)33)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5H,1,6-7H2
InChIKey SAUUAVRIOKADRN-UHFFFAOYSA-N
Mol Weight 527.24 g/mol
Molecular Formula C16H10F13NO4
Exact Mass 527.040224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDePuhJgRMz
Name 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F13NO4
InChI InChI=1S/C16H10F13NO4/c17-11(18,6-1-7-34-10(31)8-2-4-9(5-3-8)30(32)33)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5H,1,6-7H2
InChIKey SAUUAVRIOKADRN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.12.026
Molecular Weight 527.238 g/mol
SMILES c1([N+](=O)[O-])ccc(cc1)C(OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0uxr-0900000000-96652a83d907b9d1bdd7
Source of Spectrum F-72-725-724_8
Wiley ID 1806021