Fluconazole
Compound with spectra: 1 NMR, and 14 MS (GC)
| 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 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-390-0 |
| Catalog Number | 11594 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | MX-0-3-78 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CJ-0-1-3575 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | RCM-17-2805-Fluconazole |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
- 2,4-DIFLUORO-ALPHA,ALPHA(1)-BIS-(1H-1,2,4-TRIAZOL-L-YLMETHYL)-BENZYL-ALCOHOL
- 2,4-Difluoro-2,2-bis(1H-1,2,4-triazol-1-ylmethyl)benzylalkohol
2,4-DIFLUORO-ALPHA,ALPHA(1)-BIS-(1H-1,2,4-TRIAZOL-L-YLMETHYL)-BENZYL-ALCOHOL;ANHYDRATE-FORM-I
1,1-DIFLUORO-2-(4-FLUOROPHENYL)-1-(METHYLTHIO)-3-(1H-1,2,4-TRIAZOL-1-YL)-2-PROPANOL
Cyproconazole isomer I
Cyproconazole isomer II
Benzoic acid, 4-fluoro-, 4-[1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy]butyl ester
1H-Imidazole-1-propanenitrile, alpha-(2,4-dichlorophenyl)-alpha-hydroxy-
Piperidine, 1-[4-[1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy]butyl]-2-methyl-
1H-1,2,4-Triazole, 1-[1-chloro-2-(2,4-dichlorophenyl)butyl]-
1-PHENYL-1-PENTAFLUOROPHENYLETHANOL
1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)-2-thiazolidinyl]methyl]-, (+/-)-
| Title | Journal or Book | Year |
|---|---|---|
| Solid-State Carbon NMR Characterization and Investigation of Intrinsic Dissolution Behavior of Fluconazole Polymorphs, Anhydrate Forms I and II | Chemical and Pharmaceutical Bulletin | 2010 |
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.
Maurer, Meyer, Helfer, Weber: LC-HR-MS & MS Library of Drugs, Poisons, and Their Metabolites
Author: Hans H. Maurer, Markus Meyer, Andreas G. Helfer, Armin A. Weber
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.