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Tipranavir artifact (amine) TFA
SpectraBase Compound ID LP6vm6cpltS
InChI InChI=1S/C27H30F3NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(32)23(24(33)35-26)21(4-2)19-10-12-20(13-11-19)31-25(34)27(28,29)30/h5-13,21,33H,3-4,14-17H2,1-2H3,(H,31,34)
InChIKey JFLKVFPDVATJNJ-UHFFFAOYSA-N
Mol Weight 489.54 g/mol
Molecular Formula C27H30F3NO4
Exact Mass 489.212693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mgzBt5PIIm
Name Tipranavir artifact (amine) TFA
Classification Virustatic
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Exact Mass 489.212692935 u
Formula C27H30F3NO4
InChI InChI=1S/C27H30F3NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(32)23(24(33)35-26)21(4-2)19-10-12-20(13-11-19)31-25(34)27(28,29)30/h5-13,21,33H,3-4,14-17H2,1-2H3,(H,31,34)
InChIKey JFLKVFPDVATJNJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 489.535 g/mol
SMILES C(C(Nc1ccc(cc1)C(CC)C1=C(OC(CC1=O)(CCc1ccccc1)CCC)O)=O)(F)(F)F
SPLASH splash10-115c-9830000000-263e2a5bc57a60978586
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_7923