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Metyrapone

View entire compound with spectra: 6 NMR, 5 FTIR, and 13 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UfQDuMlHIS
Name 2-Methyl-1,2-di-3-pyridyl-1-propanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 856525
CAS Registry Number 54-36-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Metyrapone; Su-4885
Wiley ID SIAL_13CNMR_010508