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Warfarin enol 2TMS                  @
SpectraBase Compound ID 4NZs4v7qiCs
InChI InChI=1S/C25H32O4Si2/c1-18(28-30(2,3)4)17-21(19-13-9-8-10-14-19)23-24(29-31(5,6)7)20-15-11-12-16-22(20)27-25(23)26/h8-17,21H,1-7H3/b18-17+
InChIKey OVZKKBOMAIAJAK-ISLYRVAYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C25H32O4Si2
Exact Mass 452.183913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSa430FGY6Y
Name Warfarin enol 2TMS @
Classification Anticoagulant Rodenticide
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Exact Mass 452.183912576 u
Formula C25H32O4Si2
InChI InChI=1S/C25H32O4Si2/c1-18(28-30(2,3)4)17-21(19-13-9-8-10-14-19)23-24(29-31(5,6)7)20-15-11-12-16-22(20)27-25(23)26/h8-17,21H,1-7H3/b18-17+
InChIKey OVZKKBOMAIAJAK-ISLYRVAYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.697 g/mol
SMILES C1(=C(c2ccccc2OC1=O)O[Si](C)(C)C)C(\C=C/(O[Si](C)(C)C)C)c1ccccc1
SPLASH splash10-00di-9565800000-650f178d830ab6baab09
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
Synonyms Pyranocoumarin-M (O-demethyl-) artifact enol 2TMS
Technique GC/MS
Wiley ID MMPW6e_4971