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Rimonabant artifact (-COOH) (ME)
SpectraBase Compound ID EsQ3sdJcsbk
InChI InChI=1S/C18H13Cl3N2O2/c1-10-16(18(24)25-2)22-23(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKey RVEYFOLHNYHODX-UHFFFAOYSA-N
Mol Weight 395.67 g/mol
Molecular Formula C18H13Cl3N2O2
Exact Mass 394.004261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEZhdZYuuXA
Name Rimonabant artifact (-COOH) (ME)
Classification Anorectic
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Exact Mass 394.004260765 u
Formula C18H13N2O2Cl3
InChI InChI=1S/C18H13Cl3N2O2/c1-10-16(18(24)25-2)22-23(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKey RVEYFOLHNYHODX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 395.673 g/mol
SMILES c1cc(ccc1-c1c(c(n[n]1-c1c(cc(cc1)Cl)Cl)C(=O)OC)C)Cl
SPLASH splash10-03ej-1439000000-2bd0dece5c02a68973c3
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_8304