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TFMPP-M acetyl conjugate  TFA     @
SpectraBase Compound ID GZByi5heCK6
InChI InChI=1S/C11H7F6NO3/c1-5(19)18-6-2-3-8(7(4-6)10(12,13)14)21-9(20)11(15,16)17/h2-4H,1H3,(H,18,19)
InChIKey JXYNOZQCVYAWFG-UHFFFAOYSA-N
Mol Weight 315.17 g/mol
Molecular Formula C11H7F6NO3
Exact Mass 315.033012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29KkcwvFXk
Name TFMPP-M acetyl conjugate TFA @
Classification Designer drug Chemical
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 315.033012064 u
Formula C11H7F6NO3
InChI InChI=1S/C11H7F6NO3/c1-5(19)18-6-2-3-8(7(4-6)10(12,13)14)21-9(20)11(15,16)17/h2-4H,1H3,(H,18,19)
InChIKey JXYNOZQCVYAWFG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 315.171 g/mol
SMILES c1cc(NC(C)=O)cc(c1OC(C(F)(F)F)=O)C(F)(F)F
SPLASH splash10-004i-2940000000-df7bc03ac3513dc8f5d0
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: UTFA
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms TFMPP-M (HO-trifluoromethylaniline N-acetyl-) TFA 3-Trifluoromethylaniline-M (HO- N-acetyl-) TFA Trifluoromethylphenylpiperazine-M (HO-trifluoromethylaniline N-acetyl-) TFA
Technique GC/MS
Wiley ID MMPW6e_6807