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Ketoconazole
SpectraBase Compound ID FKRvrueidqB
InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
InChIKey XMAYWYJOQHXEEK-OZXSUGGESA-N
Mol Weight 531.44 g/mol
Molecular Formula C26H28Cl2N4O4
Exact Mass 530.148761 g/mol
Enantiomer InChIKey XMAYWYJOQHXEEK-ZEQKJWHPSA-N
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Source of Spectrum DigiLab GmbH (C) 2024
Technique DI/MS
  • 1-[4-[4-[[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- \rpiperazin-1-yl]ethanone

This compound is available in the following databases:

Wiley Registry of Tandem Mass Spectral Data: MS for ID

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Mass Spectra of Designer Drugs 2024

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This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries

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The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. 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, 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.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.