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Benzoic acid, 4-fluoro-3-nitro-, pentyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 4-fluoro-3-nitro-, pentyl ester
SpectraBase Compound ID 6VmoGv9qB9j
InChI InChI=1S/C12H14FNO4/c1-2-3-4-7-18-12(15)9-5-6-10(13)11(8-9)14(16)17/h5-6,8H,2-4,7H2,1H3
InChIKey CRFJDLMMBKNHPZ-UHFFFAOYSA-N
Mol Weight 255.25 g/mol
Molecular Formula C12H14FNO4
Exact Mass 255.090686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCEDeCP7F5S
Name Benzoic acid, 4-fluoro-3-nitro-, pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14FNO4
InChI InChI=1S/C12H14FNO4/c1-2-3-4-7-18-12(15)9-5-6-10(13)11(8-9)14(16)17/h5-6,8H,2-4,7H2,1H3
InChIKey CRFJDLMMBKNHPZ-UHFFFAOYSA-N
Molecular Weight 255.245 g/mol
SMILES CCCCCOC(=O)c1ccc(F)c(c1)[N+]([O-])=O
SPLASH splash10-00xu-9400000000-dd961d4081f1a7a42013
Source of Spectrum JX-2015-1-873
Synonyms Pentyl 4-fluoro-3-nitrobenzoate 4-Fluoro-3-nitrobenzoic acid pentyl ester Pentyl 4-fluoro-3-nitro-benzoate Pentyl 4-fluoranyl-3-nitro-benzoate
Wiley ID 1721644