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Methyl 2-[2-fluoro-5-(1H-pyrazol-1-yl)phenyl]hexanoate
SpectraBase Compound ID LoKcLx7qBlZ
InChI InChI=1S/C16H19FN2O2/c1-3-4-6-13(16(20)21-2)14-11-12(7-8-15(14)17)19-10-5-9-18-19/h5,7-11,13H,3-4,6H2,1-2H3
InChIKey RGZHWWXWDGWWJE-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C16H19FN2O2
Exact Mass 290.143056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ryhs6b1ieV
Name Methyl 2-[2-fluoro-5-(1H-pyrazol-1-yl)phenyl]hexanoate
Appearance Colorless oil
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Formula C16H19FN2O2
InChI InChI=1S/C16H19FN2O2/c1-3-4-6-13(16(20)21-2)14-11-12(7-8-15(14)17)19-10-5-9-18-19/h5,7-11,13H,3-4,6H2,1-2H3
InChIKey RGZHWWXWDGWWJE-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 290.338 g/mol
Reported Formula C16H19FN2O2
SMILES c1c(cc(c(c1)F)C(C(=O)OC)CCCC)-[n]1cccn1
SPLASH splash10-003u-0590000000-c1fba03106bc4d13e22e
Source of Spectrum ACI-59-SM36-7dp
Wiley ID 1858332