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Propafenone-M (HO-) -H2O 2AC
SpectraBase Compound ID 4l2spvcP6VQ
InChI InChI=1S/C25H29NO5/c1-4-15-26(19(2)27)16-8-17-30-25-14-12-22(31-20(3)28)18-23(25)24(29)13-11-21-9-6-5-7-10-21/h5-10,12,14,16,18H,4,11,13,15,17H2,1-3H3/b16-8+
InChIKey BQYXEDZTMYPJBG-LZYBPNLTSA-N
Mol Weight 423.51 g/mol
Molecular Formula C25H29NO5
Exact Mass 423.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85Hr00y9MBd
Name Propafenone-M (HO-) -H2O 2AC
Classification Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 423.204573033 u
Formula C25H29NO5
InChI InChI=1S/C25H29NO5/c1-4-15-26(19(2)27)16-8-17-30-25-14-12-22(31-20(3)28)18-23(25)24(29)13-11-21-9-6-5-7-10-21/h5-10,12,14,16,18H,4,11,13,15,17H2,1-3H3/b16-8+
InChIKey BQYXEDZTMYPJBG-LZYBPNLTSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 423.509 g/mol
SMILES c1c(c(cc(c1)OC(C)=O)C(=O)CCc1ccccc1)OC\C=C\N(CCC)C(=O)C
SPLASH splash10-0007-8692000000-912cc0321cb06e022533
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
Technique GC/MS
Wiley ID MMPW6e_904