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Metyrapone
SpectraBase Compound ID 5s8HmM2qJD8
InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKey FJLBFSROUSIWMA-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoiLsqaqwGO
Name Metyrapone
CAS Registry Number 54-36-4
Classification Diagnostic agent
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 226.110613078 u
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKey FJLBFSROUSIWMA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 226.279 g/mol
Nominal Mass 226 u
Quality 983
Retention Index 1860
SMILES C(C(C1=CC=CN=C1)=O)(C=1C=CC=NC1)(C)C
SPLASH splash10-05dl-9720000000-960e669e88ad27cdeec3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methopirapon Methopyrapon 2-Methyl-1,2-di(3-pyridyl)propan-1-one
Technique GC/MS
Wiley ID DD2024_010446