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TFMPP-M (HO-) 2HFB            @
SpectraBase Compound ID xzTUXM6Zq9
InChI InChI=1S/C19H11F17N2O3/c20-13(21,16(27,28)18(31,32)33)11(39)38-5-3-37(4-6-38)8-1-2-10(9(7-8)15(24,25)26)41-12(40)14(22,23)17(29,30)19(34,35)36/h1-2,7H,3-6H2
InChIKey ASUIWVCYEJECNU-UHFFFAOYSA-N
Mol Weight 638.28 g/mol
Molecular Formula C19H11F17N2O3
Exact Mass 638.049821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fwMHIKrVz6
Name TFMPP-M (HO-) 2HFB @
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 638.049820990 u
Formula C19H11F17N2O3
InChI InChI=1S/C19H11F17N2O3/c20-13(21,16(27,28)18(31,32)33)11(39)38-5-3-37(4-6-38)8-1-2-10(9(7-8)15(24,25)26)41-12(40)14(22,23)17(29,30)19(34,35)36/h1-2,7H,3-6H2
InChIKey ASUIWVCYEJECNU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 638.281 g/mol
SMILES C(C(C(F)(F)F)(F)F)(F)(C(N1CCN(CC1)c1cc(c(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc1)C(F)(F)F)=O)F
SPLASH splash10-0296-4613900000-2e66f3506f79c151a296
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: U+UHYHFB
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Trifluoromethylphenylpiperazine-M (HO-) 2HFB
Technique GC/MS
Wiley ID MMPW6e_6589