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Phenprocoumon AC
SpectraBase Compound ID 4ejscDBRuwn
InChI InChI=1S/C20H18O4/c1-3-15(14-9-5-4-6-10-14)18-19(23-13(2)21)16-11-7-8-12-17(16)24-20(18)22/h4-12,15H,3H2,1-2H3
InChIKey PIXJYZOZKZCLBP-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GPPwPZTIu
Name Phenprocoumon AC
Classification Anticoagulant
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Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-3-15(14-9-5-4-6-10-14)18-19(23-13(2)21)16-11-7-8-12-17(16)24-20(18)22/h4-12,15H,3H2,1-2H3
InChIKey PIXJYZOZKZCLBP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.360 g/mol
SMILES c12C(OC(C)=O)=C(C(Oc1cccc2)=O)C(CC)c1ccccc1
SPLASH splash10-0ue9-3690000000-625f06e20a8fd2840c6b
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: U+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_860