SpectraBase Spectrum ID |
Dh4ujCOnYef |
Name |
Rimonabant artifact (-CONH2) PFP |
Classification |
Anorectic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
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 |