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Acenocoumarol-M 3ME
SpectraBase Compound ID LLcZQpUc7mf
InChI InChI=1S/C22H25NO4/c1-14(24)13-18(15-9-11-16(12-10-15)23(2)3)20-21(26-4)17-7-5-6-8-19(17)27-22(20)25/h5-12,14,18,24H,13H2,1-4H3
InChIKey PEBDFBQUMSTMMU-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SmLzSV0yG
Name Acenocoumarol-M 3ME
Classification Anticoagulant
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Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-14(24)13-18(15-9-11-16(12-10-15)23(2)3)20-21(26-4)17-7-5-6-8-19(17)27-22(20)25/h5-12,14,18,24H,13H2,1-4H3
InChIKey PEBDFBQUMSTMMU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.445 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OC)C(c1ccc(N(C)C)cc1)CC(O)C
SPLASH splash10-0a4i-3958000000-74b6d9706768541f2cd6
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
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acenocoumarol-M (amino-dihydro-) 3ME
Technique GC/MS
Wiley ID MMPW6e_4432