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Rimonabant artifact (-CONH2) PFP
SpectraBase Compound ID Ew2r2to6RAR
InChI InChI=1S/C20H11Cl3F5N3O2/c1-9-15(17(32)29-18(33)19(24,25)20(26,27)28)30-31(14-7-6-12(22)8-13(14)23)16(9)10-2-4-11(21)5-3-10/h2-8H,1H3,(H,29,32,33)
InChIKey VWROJUZNRFORAX-UHFFFAOYSA-N
Mol Weight 526.68 g/mol
Molecular Formula C20H11Cl3F5N3O2
Exact Mass 524.983701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dh4ujCOnYef
Name Rimonabant artifact (-CONH2) PFP
Classification Anorectic
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Exact Mass 524.983700519 u
Formula C20H11N3O2Cl3F5
InChI InChI=1S/C20H11Cl3F5N3O2/c1-9-15(17(32)29-18(33)19(24,25)20(26,27)28)30-31(14-7-6-12(22)8-13(14)23)16(9)10-2-4-11(21)5-3-10/h2-8H,1H3,(H,29,32,33)
InChIKey VWROJUZNRFORAX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 526.678 g/mol
SMILES c1c(ccc(c1)Cl)-c1c(C)c(n[n]1-c1c(cc(cc1)Cl)Cl)C(NC(=O)C(F)(F)C(F)(F)F)=O
SPLASH splash10-02t9-0009000000-bc1fdd8a41ae4b34aac7
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.
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_8308