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Phenprocoumon ME
SpectraBase Compound ID 2xle1CAuBDg
InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(21-2)15-11-7-8-12-16(15)22-19(17)20/h4-12,14H,3H2,1-2H3
InChIKey KPEHKYBVRDXSBF-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcYIQWduRLk
Name Phenprocoumon isomer-1 ME
Classification Anticoagulant
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Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(21-2)15-11-7-8-12-16(15)22-19(17)20/h4-12,14H,3H2,1-2H3
InChIKey KPEHKYBVRDXSBF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 294.350 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OC)C(c1ccccc1)CC
SPLASH splash10-0v03-2390000000-1ed8ad450cf2d1de3cc2
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: PME UME UHYME
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_4417