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Warfarin-M (HO-) isomer-2 2ME       @
SpectraBase Compound ID 6qYuVzwSBYy
InChI InChI=1S/C21H20O5/c1-13(22)12-17(14-8-10-15(24-2)11-9-14)19-20(25-3)16-6-4-5-7-18(16)26-21(19)23/h4-11,17H,12H2,1-3H3
InChIKey OLTOIRMNJLVVHF-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vhbhHX0awP
Name Warfarin-M (HO-) isomer-2 2ME @
Classification Anticoagulant Rodenticide
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-13(22)12-17(14-8-10-15(24-2)11-9-14)19-20(25-3)16-6-4-5-7-18(16)26-21(19)23/h4-11,17H,12H2,1-3H3
InChIKey OLTOIRMNJLVVHF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.386 g/mol
SMILES C1(=C(c2c(cccc2)OC1=O)OC)C(c1ccc(cc1)OC)CC(=O)C
SPLASH splash10-0pi0-2967000000-931a12e7096242ab8fbe
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: UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Pyranocoumarin-M (O-demethyl-HO-) isomer-2 artifact 2ME
Technique GC/MS
Wiley ID MMPW6e_4825