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Propafenone-M 3AC
SpectraBase Compound ID 4QVOgmPNmjW
InChI InChI=1S/C24H26O8/c1-16(25)29-14-21(32-18(3)27)15-30-24-12-10-20(31-17(2)26)13-22(24)23(28)11-9-19-7-5-4-6-8-19/h4-8,10,12-13,21H,9,11,14-15H2,1-3H3
InChIKey DBMTXAYWOUZNNZ-UHFFFAOYSA-N
Mol Weight 442.46 g/mol
Molecular Formula C24H26O8
Exact Mass 442.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ODx2TSOJM
Name Propafenone-M 3AC
Classification Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 442.162767789 u
Formula C24H26O8
InChI InChI=1S/C24H26O8/c1-16(25)29-14-21(32-18(3)27)15-30-24-12-10-20(31-17(2)26)13-22(24)23(28)11-9-19-7-5-4-6-8-19/h4-8,10,12-13,21H,9,11,14-15H2,1-3H3
InChIKey DBMTXAYWOUZNNZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 442.464 g/mol
SMILES c1c(c(cc(OC(C)=O)c1)C(=O)CCc1ccccc1)OCC(OC(=O)C)COC(C)=O
SPLASH splash10-0a4i-4910000000-413f8618bfee99c52f48
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: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Propafenone-M (deamino-di-HO-) 3AC
Technique GC/MS
Wiley ID MMPW6e_903