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Metaxalone

View entire compound with spectra: 4 FTIR, 1 Raman, and 7 MS (GC)

Metaxalone
SpectraBase Compound ID FuXu5JWlI8x
InChI InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKey IMWZZHHPURKASS-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6E3NkkhxA4p
Name Metaxalone
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKey IMWZZHHPURKASS-UHFFFAOYSA-N
SMILES N1C(OC(C1)COc1cc(cc(c1)C)C)=O
SPLASH splash10-05fr-6910000000-c165f52adaedc120bf25
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences