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Tapentadol HFB
SpectraBase Compound ID IiZCZMortLR
InChI InChI=1S/C18H22F7NO2/c1-5-14(11(2)10-26(3)4)12-7-6-8-13(9-12)28-15(27)16(19,20)17(21,22)18(23,24)25/h6-9,11,14H,5,10H2,1-4H3
InChIKey NKNKCCUGIFIPDW-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C18H22F7NO2
Exact Mass 417.153876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zYktZkQvzh
Name Tapentadol HFB
Classification Potent analgesic
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Exact Mass 417.153876091 u
Formula C18H22NO2F7
InChI InChI=1S/C18H22F7NO2/c1-5-14(11(2)10-26(3)4)12-7-6-8-13(9-12)28-15(27)16(19,20)17(21,22)18(23,24)25/h6-9,11,14H,5,10H2,1-4H3
InChIKey NKNKCCUGIFIPDW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 417.368 g/mol
SMILES c1(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(C(C(C)CN(C)C)CC)ccc1
SPLASH splash10-0a4i-9100000000-cdc1a1b0cb0f0f866551
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_8676