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Etafenone-M isomer-1 AC
SpectraBase Compound ID 2LoQ6y1cvsi
InChI InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3
InChIKey ZQEIRGTUUUCRME-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRt4w7TKtYh
Name Propafenone-M isomer-2 AC @
Classification Coronary dilator Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3
InChIKey ZQEIRGTUUUCRME-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.337 g/mol
SMILES c1cc(C(=O)CCc2ccc(c(c2)OC)OC(C)=O)c(O)cc1
SPLASH splash10-00xu-4981000000-b67a9008442e02c769a3
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 Etafenone-M (O-dealkyl-HO-methoxy-) isomer-2 AC Propafenone-M (O-dealkyl-HO-methoxy-) AC
Technique GC/MS
Wiley ID MMPW6e_900