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PCEPA-M (carboxy-2''-HO-) -H2O TFA
SpectraBase Compound ID K7tK3z6Q8qT
InChI InChI=1S/C17H18F3NO3/c18-17(19,20)15(23)24-13-11-21(14(13)22)16(9-5-2-6-10-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey DLBSMFLDYMKCIV-UHFFFAOYSA-N
Mol Weight 341.33 g/mol
Molecular Formula C17H18F3NO3
Exact Mass 341.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Q0krIXUz65
Name PCEPA-M (carboxy-2''-HO-) -H2O TFA
Classification Designer drug
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Exact Mass 341.123877930 u
Formula C17H18NO3F3
InChI InChI=1S/C17H18F3NO3/c18-17(19,20)15(23)24-13-11-21(14(13)22)16(9-5-2-6-10-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey DLBSMFLDYMKCIV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.330 g/mol
SMILES C1CCC(c2ccccc2)(N2CC(C2=O)OC(C(F)(F)F)=O)CC1
SPLASH splash10-052f-4900000000-a26c214e06ad7d77ec1f
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
Synonyms 1-(1-Phenylcyclohexyl)-2-ethoxypropylamine-M (carboxy-2''-HO-) -H2O TFA
Technique GC/MS
Wiley ID MMPW6e_7048