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Tipranavir artifact (amine) HFB
SpectraBase Compound ID CAETakHeEWX
InChI InChI=1S/C29H30F7NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(38)23(24(39)41-26)21(4-2)19-10-12-20(13-11-19)37-25(40)27(30,31)28(32,33)29(34,35)36/h5-13,21,39H,3-4,14-17H2,1-2H3,(H,37,40)
InChIKey HRBKKBRGXHSPPE-UHFFFAOYSA-N
Mol Weight 589.55 g/mol
Molecular Formula C29H30F7NO4
Exact Mass 589.206306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kPCcVv7GS
Name Tipranavir artifact (amine) HFB
Classification Virustatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.206305587 u
Formula C29H30F7NO4
InChI InChI=1S/C29H30F7NO4/c1-3-15-26(16-14-18-8-6-5-7-9-18)17-22(38)23(24(39)41-26)21(4-2)19-10-12-20(13-11-19)37-25(40)27(30,31)28(32,33)29(34,35)36/h5-13,21,39H,3-4,14-17H2,1-2H3,(H,37,40)
InChIKey HRBKKBRGXHSPPE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.551 g/mol
SMILES C(C(C(C(Nc1ccc(cc1)C(CC)C1=C(OC(CC1=O)(CCc1ccccc1)CCC)O)=O)(F)F)(F)F)(F)(F)F
SPLASH splash10-0fyo-9716010000-e8e1c9f3bc6ff83b1c0d
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_7925