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Dronedarone-M (debutyl-) ME
SpectraBase Compound ID 4BwbzxD62fH
InChI InChI=1S/C28H38N2O5S/c1-5-7-10-26-27(24-20-22(13-16-25(24)35-26)30(3)36(4,32)33)28(31)21-11-14-23(15-12-21)34-19-9-18-29-17-8-6-2/h11-16,20,29H,5-10,17-19H2,1-4H3
InChIKey QEIWLTMFIINPMX-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C28H38N2O5S
Exact Mass 514.250144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NYOztInsml
Name Dronedarone-M (debutyl-) ME
Classification Antiarrhythmic
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Exact Mass 514.250143501 u
Formula C28H38N2O5S
InChI InChI=1S/C28H38N2O5S/c1-5-7-10-26-27(24-20-22(13-16-25(24)35-26)30(3)36(4,32)33)28(31)21-11-14-23(15-12-21)34-19-9-18-29-17-8-6-2/h11-16,20,29H,5-10,17-19H2,1-4H3
InChIKey QEIWLTMFIINPMX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 514.681 g/mol
SMILES c12cc(ccc2oc(c1C(c1ccc(cc1)OCCCNCCCC)=O)CCCC)N(S(C)(=O)=O)C
SPLASH splash10-0pi9-9511100000-6b3b86c28202abbf50c4
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.
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_8452