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4-(1-Aminoethyl-)phenol 2TFA
SpectraBase Compound ID KzgkInifGXt
InChI InChI=1S/C12H9F6NO3/c1-6(19-9(20)11(13,14)15)7-2-4-8(5-3-7)22-10(21)12(16,17)18/h2-6H,1H3,(H,19,20)
InChIKey GNWUJXAXPHJCOD-UHFFFAOYSA-N
Mol Weight 329.2 g/mol
Molecular Formula C12H9F6NO3
Exact Mass 329.048662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FZOFpSU2tY
Name 4-(1-Aminoethyl-)phenol 2TFA
Classification Chemical
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Exact Mass 329.048662129 u
Formula C12H9NO3F6
InChI InChI=1S/C12H9F6NO3/c1-6(19-9(20)11(13,14)15)7-2-4-8(5-3-7)22-10(21)12(16,17)18/h2-6H,1H3,(H,19,20)
InChIKey GNWUJXAXPHJCOD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.198 g/mol
SMILES c1c(C(NC(=O)C(F)(F)F)C)ccc(OC(C(F)(F)F)=O)c1
SPLASH splash10-02di-2239000000-fccfa3179d0a6c34304d
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_7602