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Phenprocoumon-M isomer-3 2ME
SpectraBase Compound ID 9lNOa84qKqN
InChI InChI=1S/C20H20O4/c1-4-15(13-8-6-5-7-9-13)18-19(23-3)16-11-10-14(22-2)12-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3
InChIKey CHHCVVOECWKZOA-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uGq020iPY
Name Phenprocoumon-M isomer-3 2ME
Classification Anticoagulant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 324.136159120 u
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-4-15(13-8-6-5-7-9-13)18-19(23-3)16-11-10-14(22-2)12-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3
InChIKey CHHCVVOECWKZOA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 324.376 g/mol
SMILES c12c(ccc(c2)OC)C(=C(C(O1)=O)C(c1ccccc1)CC)OC
SPLASH splash10-0002-1292000000-8cb490eb05674530d817
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 UHYME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phenprocoumon-M (HO-) isomer-3 2ME
Technique GC/MS
Wiley ID MMPW6e_4419