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Clobenzorex-M isomer-3 3AC
SpectraBase Compound ID 2J2PpSLe1V3
InChI InChI=1S/C22H24ClNO5/c1-14(10-18-6-5-7-20(11-18)28-16(3)26)24(15(2)25)13-19-8-9-21(12-22(19)23)29-17(4)27/h5-9,11-12,14H,10,13H2,1-4H3
InChIKey AUXASSSIVUWPDA-UHFFFAOYSA-N
Mol Weight 417.89 g/mol
Molecular Formula C22H24ClNO5
Exact Mass 417.134301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SDPifqBF2
Name Clobenzorex-M isomer-3 3AC
Classification Anorectic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 417.134300572 u
Formula C22H24ClNO5
InChI InChI=1S/C22H24ClNO5/c1-14(10-18-6-5-7-20(11-18)28-16(3)26)24(15(2)25)13-19-8-9-21(12-22(19)23)29-17(4)27/h5-9,11-12,14H,10,13H2,1-4H3
InChIKey AUXASSSIVUWPDA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 417.889 g/mol
SMILES c1ccc(CC(N(Cc2c(cc(cc2)OC(=O)C)Cl)C(=O)C)C)cc1OC(=O)C
SPLASH splash10-004i-4960000000-5cf3494459b4d6e18c13
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.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Clobenzorex-M (HO-HO-chlorobenzyl-) isomer-3 3AC
Technique GC/MS
Wiley ID MMPW6e_5103