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Amiodarone artifact
SpectraBase Compound ID JzbXyzXjgwH
InChI InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
InChIKey PNFMEGSMKIHDFZ-UHFFFAOYSA-N
Mol Weight 546.14 g/mol
Molecular Formula C19H16I2O3
Exact Mass 545.918884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Frq49684Yjx
Name Amiodarone artifact
Classification Antiarrhythmic
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Exact Mass 545.918884372 u
Formula C19H16I2O3
InChI InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
InChIKey PNFMEGSMKIHDFZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 546.143 g/mol
Related CAS Registry Number(s) 1951-25-3
SMILES c1ccc2c(C(c3cc(c(c(c3)I)O)I)=O)c(oc2c1)CCCC
SPLASH splash10-00r6-7970000000-28f2c6ed30d4d4d1789a
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_1386