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Warfarin-M (dihydro-) ET
SpectraBase Compound ID 59tOv1xDd4a
InChI InChI=1S/C21H22O4/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/h4-12,14,17,22H,3,13H2,1-2H3
InChIKey OOJWNEWEGYXDFG-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48SAbWPn0a
Name Warfarin-M (dihydro-) ET
Classification Anticoagulant Rodenticide
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/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/h4-12,14,17,22H,3,13H2,1-2H3
InChIKey OOJWNEWEGYXDFG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.403 g/mol
SMILES C1(=C(c2c(cccc2)OC1=O)OCC)C(CC(O)C)c1ccccc1
SPLASH splash10-0006-3960000000-d866f616122b3fda550a
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_4836