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Bezafibrate -CO2
SpectraBase Compound ID He51xdKxwKz
InChI InChI=1S/C18H20ClNO2/c1-13(2)22-17-9-3-14(4-10-17)11-12-20-18(21)15-5-7-16(19)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKey PLNMITWQWWGXGE-UHFFFAOYSA-N
Mol Weight 317.82 g/mol
Molecular Formula C18H20ClNO2
Exact Mass 317.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pIkFn6TZDu
Name Bezafibrate -CO2
Classification Anticholesteremic
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Exact Mass 317.118256586 u
Formula C18H20ClNO2
InChI InChI=1S/C18H20ClNO2/c1-13(2)22-17-9-3-14(4-10-17)11-12-20-18(21)15-5-7-16(19)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKey PLNMITWQWWGXGE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.816 g/mol
Related CAS Registry Number(s) 41859-67-0
SMILES c1(C(NCCc2ccc(cc2)OC(C)C)=O)ccc(cc1)Cl
SPLASH splash10-00di-1900000000-7e9481b6e0b7c8bac20f
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: G P 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_1745