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Warfarin-M (dihydro-) ME            @
SpectraBase Compound ID IMs7gVL9BR9
InChI InChI=1S/C20H20O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,13,16,21H,12H2,1-2H3
InChIKey DAAPEIIPABUNQN-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxGuvY5If5E
Name Warfarin-M (dihydro-) ME @
Classification Anticoagulant Rodenticide
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Exact Mass 324.136159120 u
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,13,16,21H,12H2,1-2H3
InChIKey DAAPEIIPABUNQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 324.376 g/mol
SMILES c12c(cccc2)C(=C(C(O1)=O)C(c1ccccc1)CC(O)C)OC
SPLASH splash10-004l-5980000000-92f162a2599ffb024881
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-dihydro-) artifact ME
Technique GC/MS
Wiley ID MMPW6e_1032