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Rimonabant artifact (-CONH2) AC
SpectraBase Compound ID 3FUNWjnZbjz
InChI InChI=1S/C19H14Cl3N3O2/c1-10-17(19(27)23-11(2)26)24-25(16-8-7-14(21)9-15(16)22)18(10)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,26,27)
InChIKey RJMGGKCXNBFSBS-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C19H14Cl3N3O2
Exact Mass 421.01516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1KhTSKlbOa
Name Rimonabant artifact (-CONH2) AC
Classification Anorectic
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Exact Mass 421.015159801 u
Formula C19H14N3O2Cl3
InChI InChI=1S/C19H14Cl3N3O2/c1-10-17(19(27)23-11(2)26)24-25(16-8-7-14(21)9-15(16)22)18(10)12-3-5-13(20)6-4-12/h3-9H,1-2H3,(H,23,26,27)
InChIKey RJMGGKCXNBFSBS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 422.699 g/mol
SMILES c1c(ccc(c1)Cl)-c1c(c(n[n]1-c1c(cc(cc1)Cl)Cl)C(NC(C)=O)=O)C
SPLASH splash10-01qj-2956100000-7437d0b0c7b0b991ae42
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_8303