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Rimonabant artifact (-CONH2)
SpectraBase Compound ID LkJJrltLxAi
InChI InChI=1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)
InChIKey BBUKVPCUOHFAQN-UHFFFAOYSA-N
Mol Weight 380.66 g/mol
Molecular Formula C17H12Cl3N3O
Exact Mass 379.004595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcBJrsJU2E8
Name Rimonabant artifact (-CONH2)
Classification Anorectic
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Exact Mass 379.004595117 u
Formula C17H12N3OCl3
InChI InChI=1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)
InChIKey BBUKVPCUOHFAQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 380.662 g/mol
SMILES c1c(ccc(c1)Cl)-c1c(c(n[n]1-c1c(cc(cc1)Cl)Cl)C(N)=O)C
SPLASH splash10-01q9-1659000000-6ecab369e3f3decf355b
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_8302