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2-(Benzylamino)-1-(p-tolyl)propan-1-one
SpectraBase Compound ID 58dEyLd8dmd
InChI InChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKey KWHZRPBDEAQYDE-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C17H19NO
Exact Mass 253.146664 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8SaHikXAGoM
Name Benzedrone MS2
Comments F: ITMS + c ESI d w Full ms2 254.10
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Formula C17H19NO
InChI InChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKey KWHZRPBDEAQYDE-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(C(C1=CC=C(C=C1)C)=O)C)CC1=CC=CC=C1
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