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Mexiletine-M isomer-1 AC
SpectraBase Compound ID ERxrx6bkz8s
InChI InChI=1S/C13H16O4/c1-8-5-12(17-11(4)15)6-9(2)13(8)16-7-10(3)14/h5-6H,7H2,1-4H3
InChIKey KEZJMWTUAZTVQH-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 2phkn3yl4S
Name Mexiletine-M isomer-1 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/c1-8-5-12(17-11(4)15)6-9(2)13(8)16-7-10(3)14/h5-6H,7H2,1-4H3
InChIKey KEZJMWTUAZTVQH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.267 g/mol
SMILES c1(c(c(cc(c1)OC(C)=O)C)OCC(=O)C)C
SPLASH splash10-007c-2900000000-949d89acfdfb51a8f07a
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-1 AC
Technique GC/MS
Wiley ID MMPW6e_2898