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Tapentadol ME
SpectraBase Compound ID Bs3IUgRIgEd
InChI InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3
InChIKey JKVBTSJLQLSTHJ-UHFFFAOYSA-N
Mol Weight 235.37 g/mol
Molecular Formula C15H25NO
Exact Mass 235.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ffCCE7a5xI
Name Tapentadol ME
Classification Potent analgesic
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Exact Mass 235.193614428 u
Formula C15H25NO
InChI InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3
InChIKey JKVBTSJLQLSTHJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.371 g/mol
Related CAS Registry Number(s) 175591-23-8
SMILES c1(cc(ccc1)C(CC)C(C)CN(C)C)OC
SPLASH splash10-0a4i-9100000000-340dbc3b47043fbf7d06
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_1220