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2-(pentafluorophenyl)-2-propyl p-nitrobenzoate
SpectraBase Compound ID zkCfuaunBU
InChI InChI=1S/C16H10F5NO4/c1-16(2,9-10(17)12(19)14(21)13(20)11(9)18)26-15(23)7-3-5-8(6-4-7)22(24)25/h3-6H,1-2H3
InChIKey FNJLIVXLNZOVNC-UHFFFAOYSA-N
Mol Weight 375.25 g/mol
Molecular Formula C16H10F5NO4
Exact Mass 375.052999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESLUpZwArAY
Name 2-(pentafluorophenyl)-2-propyl p-nitrobenzoate
Alternate Name(s) 1-Methyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl 4-nitrobenzoate
CAS Registry Number 109390-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F5NO4
InChI InChI=1S/C16H10F5NO4/c1-16(2,9-10(17)12(19)14(21)13(20)11(9)18)26-15(23)7-3-5-8(6-4-7)22(24)25/h3-6H,1-2H3
InChIKey FNJLIVXLNZOVNC-UHFFFAOYSA-N
Molecular Weight 375.251 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)C(OC(c1ccc(N(=O)=O)cc1)=O)(C)C
SPLASH splash10-0a59-0891000000-e13af72ad36ed97c11c6
Source of Spectrum J-52-4170-11
Wiley ID 1357084