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Clobenzorex
SpectraBase Compound ID DN7X2rCLyGe
InChI InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3
InChIKey LRXXRIXDSAEIOR-UHFFFAOYSA-N
Mol Weight 259.78 g/mol
Molecular Formula C16H18ClN
Exact Mass 259.112777 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8fJ2XUWGzw
Name Clobenzorex MS2
CAS Registry Number 13364-32-4
Comments F: ITMS + c ESI d w Full ms2 260.10
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Formula C16H18ClN
InChI InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3
InChIKey LRXXRIXDSAEIOR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(CC1=CC=CC=C1)C)CC1=C(C=CC=C1)Cl
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS