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Diphenylprolinol -H2O HFB
SpectraBase Compound ID Iwj3No6SSDr
InChI InChI=1S/C21H16F7NO/c22-19(23,20(24,25)21(26,27)28)18(30)29-13-7-12-16(29)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey NMVVKPSJCZCDLG-UHFFFAOYSA-N
Mol Weight 431.35 g/mol
Molecular Formula C21H16F7NO
Exact Mass 431.112011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FMYtKHYPI
Name Diphenylprolinol -H2O HFB
Classification Stimulant
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Exact Mass 431.112011279 u
Formula C21H16NOF7
InChI InChI=1S/C21H16F7NO/c22-19(23,20(24,25)21(26,27)28)18(30)29-13-7-12-16(29)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey NMVVKPSJCZCDLG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 431.354 g/mol
SMILES C1CC(N(C1)C(C(F)(F)C(F)(F)C(F)(F)F)=O)=C(c1ccccc1)c1ccccc1
SPLASH splash10-05o0-3970300000-20f8b670ce5fe9e8fbcc
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_7812