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Fluconazole

View entire compound with spectra: 1 NMR, and 14 MS (GC)

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 LIRzRJFRXd6
Name Fluconazole
Catalog Number 11594
CAS Registry Number 86386-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c1ccc(cc1F)F)(C[n]1cncn1)C[n]1cncn1
SPLASH splash10-00gi-6970000000-342f74e09da08dca6947
Source of Spectrum CAY-2023-390-0
Wiley ID 1888356