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Warfarin ET
SpectraBase Compound ID LWZsh40Naoy
InChI InChI=1S/C21H20O4/c1-3-24-20-16-11-7-8-12-18(16)25-21(23)19(20)17(13-14(2)22)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3
InChIKey HTOSVGXZLVBFND-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SOU5cNgO
Name Warfarin ET
Classification Anticoagulant Rodenticide
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Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-3-24-20-16-11-7-8-12-18(16)25-21(23)19(20)17(13-14(2)22)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3
InChIKey HTOSVGXZLVBFND-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 336.387 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OCC)C(CC(=O)C)c1ccccc1
SPLASH splash10-00ko-2891000000-223129409413200b366b
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: UET
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_4831