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Benzoic acid, 2-fluoro-5-nitro-, butyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 2-fluoro-5-nitro-, butyl ester
SpectraBase Compound ID BgneGiEdqSV
InChI InChI=1S/C11H12FNO4/c1-2-3-6-17-11(14)9-7-8(13(15)16)4-5-10(9)12/h4-5,7H,2-3,6H2,1H3
InChIKey MBNHLNIAUFZDNF-UHFFFAOYSA-N
Mol Weight 241.22 g/mol
Molecular Formula C11H12FNO4
Exact Mass 241.075036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MGPA3h8kfB
Name Benzoic acid, 2-fluoro-5-nitro-, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FNO4
InChI InChI=1S/C11H12FNO4/c1-2-3-6-17-11(14)9-7-8(13(15)16)4-5-10(9)12/h4-5,7H,2-3,6H2,1H3
InChIKey MBNHLNIAUFZDNF-UHFFFAOYSA-N
Molecular Weight 241.218 g/mol
SMILES CCCCOC(=O)c1cc(ccc1F)[N+]([O-])=O
SPLASH splash10-0ar3-9500000000-1f3233200c26132f46c9
Source of Spectrum JX-2015-1-302
Synonyms Butyl 2-fluoro-5-nitrobenzoate 2-Fluoro-5-nitrobenzoic acid butyl ester Butyl 2-fluoro-5-nitro-benzoate Butyl 2-fluoranyl-5-nitro-benzoate
Wiley ID 1721139