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Coumatetralyl AC
SpectraBase Compound ID 6YUqCY7w2lM
InChI InChI=1S/C21H18O4/c1-13(22)24-20-17-10-4-5-12-18(17)25-21(23)19(20)16-11-6-8-14-7-2-3-9-15(14)16/h2-5,7,9-10,12,16H,6,8,11H2,1H3
InChIKey BNYZGOCLHUQPPH-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9fguN9Khin
Name Coumatetralyl AC
Classification Anticoagulant Rodenticide
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Exact Mass 334.120509056 u
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-13(22)24-20-17-10-4-5-12-18(17)25-21(23)19(20)16-11-6-8-14-7-2-3-9-15(14)16/h2-5,7,9-10,12,16H,6,8,11H2,1H3
InChIKey BNYZGOCLHUQPPH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.371 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OC(=O)C)C1c2c(cccc2)CCC1
SPLASH splash10-002f-2940000000-3dda2912f0cafddfb089
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: UHYAC
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_4789