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2C-P-M isomer-1 TFA
SpectraBase Compound ID DrC1TGuEGnt
InChI InChI=1S/C16H20F3NO4/c1-4-5-11-8-13(23-3)12(6-7-20-10(2)21)9-14(11)24-15(22)16(17,18)19/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKey ZSYPWHJRMUHRBQ-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 1qKIpet3fLw
Name 2C-P-M isomer-1 TFA
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 347.134442613 u
Formula C16H20NO4F3
InChI InChI=1S/C16H20F3NO4/c1-4-5-11-8-13(23-3)12(6-7-20-10(2)21)9-14(11)24-15(22)16(17,18)19/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKey ZSYPWHJRMUHRBQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 347.334 g/mol
SMILES c1(OC(C(F)(F)F)=O)cc(c(OC)cc1CCC)CCNC(=O)C
SPLASH splash10-052r-0190000000-f5facc2aa5007ef3cea4
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.
Sample Preparation Procedure Detected: UGLUCSPETFA
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 2C-P-M (O-demethyl- N-acetyl-) isomer-1 TFA
Technique GC/MS
Wiley ID MMPW6e_8802