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Mexiletine-M isomer-2 AC
SpectraBase Compound ID 8TqObndgyZP
InChI InChI=1S/C13H16O4/c1-8-5-6-12(17-11(4)15)10(3)13(8)16-7-9(2)14/h5-6H,7H2,1-4H3
InChIKey SFMNJDAORVWNQW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFjQR0tRhgQ
Name Mexiletine-M isomer-3 AC
Classification Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-5-6-12(17-11(4)15)10(3)13(8)16-7-9(2)14/h5-6H,7H2,1-4H3
InChIKey SFMNJDAORVWNQW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.267 g/mol
SMILES c1(c(OCC(C)=O)c(C)c(OC(C)=O)cc1)C
SPLASH splash10-000i-1900000000-8eb70532d650cfa8344f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Mexiletine-M (deamino-oxo-HO-) isomer-3 AC
Technique GC/MS
Wiley ID MMPW6e_3045