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Pethidine-M (nor-) TFA
SpectraBase Compound ID B2QVm3VqyKn
InChI InChI=1S/C16H18F3NO3/c1-2-23-14(22)15(12-6-4-3-5-7-12)8-10-20(11-9-15)13(21)16(17,18)19/h3-7H,2,8-11H2,1H3
InChIKey XSXUXQLWBSGECH-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C16H18F3NO3
Exact Mass 329.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YJnGExrE0
Name Pethidine-M (nor-) TFA
Classification Potent analgesic
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Exact Mass 329.123877930 u
Formula C16H18NO3F3
InChI InChI=1S/C16H18F3NO3/c1-2-23-14(22)15(12-6-4-3-5-7-12)8-10-20(11-9-15)13(21)16(17,18)19/h3-7H,2,8-11H2,1H3
InChIKey XSXUXQLWBSGECH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.319 g/mol
SMILES C1(CCN(C(=O)C(F)(F)F)CC1)(C(OCC)=O)c1ccccc1
SPLASH splash10-0006-4951000000-227f0ba417569b89c3c1
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_7821