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2,3,4,5,6-Pentafluorophenyl 4-Nitrobenzoate
SpectraBase Compound ID HJkEIqKkYmY
InChI InChI=1S/C13H4F5NO4/c14-7-8(15)10(17)12(11(18)9(7)16)23-13(20)5-1-3-6(4-2-5)19(21)22/h1-4H
InChIKey ODMBPSWHKNIHTN-UHFFFAOYSA-N
Mol Weight 333.17 g/mol
Molecular Formula C13H4F5NO4
Exact Mass 333.006048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ijn9RThO1d
Name 2,3,4,5,6-Pentafluorophenyl 4-Nitrobenzoate
Alternate Name(s) Perfluorophenyl 4-nitrobenzoate (2,3,4,5,6-pentafluorophenyl) 4-nitrobenzoate [2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-nitrobenzoate
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Formula C13H4F5NO4
InChI InChI=1S/C13H4F5NO4/c14-7-8(15)10(17)12(11(18)9(7)16)23-13(20)5-1-3-6(4-2-5)19(21)22/h1-4H
InChIKey ODMBPSWHKNIHTN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 333.170 g/mol
SMILES c1(C(=O)Oc2c(c(c(c(c2F)F)F)F)F)ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0udi-1900000000-c699d8b3aeead655fae9
Source of Spectrum J-77-8347-3ca
Wiley ID 1745232