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Tipranavir artifact (amine) PFP
SpectraBase Compound ID 53nCYL74c9O
InChI InChI=1S/C28H30F5NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(35)23(24(36)38-26)21(4-2)19-10-12-20(13-11-19)34-25(37)27(29,30)28(31,32)33/h5-13,21,36H,3-4,14-17H2,1-2H3,(H,34,37)
InChIKey XTQATCNPESNBJH-UHFFFAOYSA-N
Mol Weight 539.54 g/mol
Molecular Formula C28H30F5NO4
Exact Mass 539.209499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0k0XsTGVpx
Name Tipranavir artifact (amine) PFP
Classification Virustatic
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Exact Mass 539.209499261 u
Formula C28H30F5NO4
InChI InChI=1S/C28H30F5NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(35)23(24(36)38-26)21(4-2)19-10-12-20(13-11-19)34-25(37)27(29,30)28(31,32)33/h5-13,21,36H,3-4,14-17H2,1-2H3,(H,34,37)
InChIKey XTQATCNPESNBJH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 539.543 g/mol
SMILES C(C(C(Nc1ccc(cc1)C(CC)C1=C(OC(CC1=O)(CCc1ccccc1)CCC)O)=O)(F)F)(F)(F)F
SPLASH splash10-0udl-9773100000-084a3589263b2dfd9a17
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_7924