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Acenocoumarol-M (amino-) 2ET
SpectraBase Compound ID JpnVGDJFtZg
InChI InChI=1S/C23H25NO4/c1-4-24-17-12-10-16(11-13-17)19(14-15(3)25)21-22(27-5-2)18-8-6-7-9-20(18)28-23(21)26/h6-13,19,24H,4-5,14H2,1-3H3
InChIKey JKQPHITZOIRGQI-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4lDHOFBeMc
Name Acenocoumarol-M (amino-) 2ET
Classification Anticoagulant
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Exact Mass 379.178358285 u
Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c1-4-24-17-12-10-16(11-13-17)19(14-15(3)25)21-22(27-5-2)18-8-6-7-9-20(18)28-23(21)26/h6-13,19,24H,4-5,14H2,1-3H3
InChIKey JKQPHITZOIRGQI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 379.456 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OCC)C(c1ccc(cc1)NCC)CC(=O)C
SPLASH splash10-00fr-1629000000-714423f25e5e0844a9ea
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_4784