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Coumatetralyl isomer-1 ME
SpectraBase Compound ID 3fbI8e5vCo1
InChI InChI=1S/C20H18O3/c1-22-20-18(19(21)16-10-4-5-12-17(16)23-20)15-11-6-8-13-7-2-3-9-14(13)15/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKey IETKQIUODXIVHT-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dVF3IfrEUm
Name Coumatetralyl-isomer-1 ME
Classification Anticoagulant Rodenticide
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Exact Mass 306.125594437 u
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-22-20-18(19(21)16-10-4-5-12-17(16)23-20)15-11-6-8-13-7-2-3-9-14(13)15/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKey IETKQIUODXIVHT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 306.361 g/mol
SMILES C1(=C(Oc2c(C1=O)cccc2)OC)C1c2c(cccc2)CCC1
SPLASH splash10-0a6u-3932000000-25bff507a2c5e2892d70
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 Coumatetralyl isomer-1 ME
Technique GC/MS
Wiley ID MMPW6e_4790