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Cetobemidone TFA
SpectraBase Compound ID EHWj5TdYk1D
InChI InChI=1S/C17H20F3NO3/c1-3-14(22)16(7-9-21(2)10-8-16)12-5-4-6-13(11-12)24-15(23)17(18,19)20/h4-6,11H,3,7-10H2,1-2H3
InChIKey COHJHJYZKHJEKX-UHFFFAOYSA-N
Mol Weight 343.35 g/mol
Molecular Formula C17H20F3NO3
Exact Mass 343.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkfGmYH6e0y
Name Cetobemidone TFA
Classification Potent analgesic
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Exact Mass 343.139527994 u
Formula C17H20F3NO3
InChI InChI=1S/C17H20F3NO3/c1-3-14(22)16(7-9-21(2)10-8-16)12-5-4-6-13(11-12)24-15(23)17(18,19)20/h4-6,11H,3,7-10H2,1-2H3
InChIKey COHJHJYZKHJEKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 343.346 g/mol
SMILES C1CN(C)CCC1(c1cccc(c1)OC(C(F)(F)F)=O)C(CC)=O
SPLASH splash10-00di-9210000000-c426707998389bff4796
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_6210