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Fluconazole
SpectraBase Compound ID 79UOSJbKWmJ
InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChIKey RFHAOTPXVQNOHP-UHFFFAOYSA-N
Mol Weight 306.28 g/mol
Molecular Formula C13H12F2N6O
Exact Mass 306.104065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B5UNXfrNMZ
Name Fluconazole
Alternate Name(s) 2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol
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Formula C13H12F2N6O
InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChIKey RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Weight 306.277 g/mol
SMILES OC(c1c(cc(cc1)F)F)(C[n]1cncn1)C[n]1cncn1
SPLASH splash10-00di-3691000000-f38b66e24e38da449185
Source of Spectrum RCM-17-2805-Fluconazole
Wiley ID 1819939