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Methallylescaline TFA
SpectraBase Compound ID 3PvH0P2xutu
InChI InChI=1S/C16H20F3NO4/c1-10(2)9-24-14-12(22-3)7-11(8-13(14)23-4)5-6-20-15(21)16(17,18)19/h7-8H,1,5-6,9H2,2-4H3,(H,20,21)
InChIKey OSNBZNWCKSKLGS-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C16H20F3NO4
Exact Mass 347.134443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kh63jFVMu
Name Methallylescaline TFA
Classification Designer drug Stimulant
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Exact Mass 347.134442613 u
Formula C16H20NO4F3
InChI InChI=1S/C16H20F3NO4/c1-10(2)9-24-14-12(22-3)7-11(8-13(14)23-4)5-6-20-15(21)16(17,18)19/h7-8H,1,5-6,9H2,2-4H3,(H,20,21)
InChIKey OSNBZNWCKSKLGS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 347.334 g/mol
SMILES c1(c(OCC(C)=C)c(OC)cc(CCNC(C(F)(F)F)=O)c1)OC
SPLASH splash10-004i-3910000000-9e87f72d3994e0fe6fa5
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_10837