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Rimonabant TMS
SpectraBase Compound ID 8lPxFHDDcTF
InChI InChI=1S/C25H29Cl3N4OSi/c1-17-23(25(33)32(34(2,3)4)30-14-6-5-7-15-30)29-31(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16H,5-7,14-15H2,1-4H3
InChIKey KLWMBQKWTVFGTC-UHFFFAOYSA-N
Mol Weight 535.98 g/mol
Molecular Formula C25H29Cl3N4OSi
Exact Mass 534.117621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCuj3PtagGl
Name Rimonabant TMS
Classification Anorectic
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Exact Mass 534.117621204 u
Formula C25H29N4OCl3Si
InChI InChI=1S/C25H29Cl3N4OSi/c1-17-23(25(33)32(34(2,3)4)30-14-6-5-7-15-30)29-31(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16H,5-7,14-15H2,1-4H3
InChIKey KLWMBQKWTVFGTC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 535.978 g/mol
SMILES c1c(-c2c(c(n[n]2-c2c(cc(cc2)Cl)Cl)C(N(N2CCCCC2)[Si](C)(C)C)=O)C)ccc(c1)Cl
SPLASH splash10-01q9-9438000000-90ff379e05c966b55a28
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_8305