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Rimonabant artifact (-CONH2) TFA
SpectraBase Compound ID HXTscgSew8p
InChI InChI=1S/C19H11Cl3F3N3O2/c1-9-15(17(29)26-18(30)19(23,24)25)27-28(14-7-6-12(21)8-13(14)22)16(9)10-2-4-11(20)5-3-10/h2-8H,1H3,(H,26,29,30)
InChIKey GPYNVBWWAMTGLK-UHFFFAOYSA-N
Mol Weight 476.67 g/mol
Molecular Formula C19H11Cl3F3N3O2
Exact Mass 474.986894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66uD5ya91n3
Name Rimonabant artifact (-CONH2) TFA
Classification Anorectic
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Exact Mass 474.986894193 u
Formula C19H11N3O2Cl3F3
InChI InChI=1S/C19H11Cl3F3N3O2/c1-9-15(17(29)26-18(30)19(23,24)25)27-28(14-7-6-12(21)8-13(14)22)16(9)10-2-4-11(20)5-3-10/h2-8H,1H3,(H,26,29,30)
InChIKey GPYNVBWWAMTGLK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 476.670 g/mol
SMILES c1c(ccc(c1)Cl)-c1c(c(n[n]1-c1c(cc(cc1)Cl)Cl)C(NC(=O)C(F)(F)F)=O)C
SPLASH splash10-02t9-0009000000-107e30dcce899c1898d9
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_8307