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Ethyl 3'-fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID GThyniijKpu
InChI InChI=1S/C18H15FN2O2/c1-2-23-18(22)14-9-7-13(8-10-14)15-5-3-6-16(19)17(15)21-12-4-11-20-21/h3-12H,2H2,1H3
InChIKey XXAZCMWAFGTSKT-UHFFFAOYSA-N
Mol Weight 310.33 g/mol
Molecular Formula C18H15FN2O2
Exact Mass 310.111756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BEeEmtoYRO
Name Ethyl 3'-fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-carboxylate
Appearance Brown oil
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Formula C18H15FN2O2
InChI InChI=1S/C18H15FN2O2/c1-2-23-18(22)14-9-7-13(8-10-14)15-5-3-6-16(19)17(15)21-12-4-11-20-21/h3-12H,2H2,1H3
InChIKey XXAZCMWAFGTSKT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 310.328 g/mol
SMILES C1(=C(C(=CC=C1)C1=CC=C(C=C1)C(OCC)=O)N1C=CC=N1)F
SPLASH splash10-0a59-0069000000-716e8060725e8f17215b
Source of Spectrum ACI-56-SM26-3em (DOI: 10.1002/anie.201701231)
Wiley ID 1895829