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Tipranavir artifact (amine) 2ME
SpectraBase Compound ID 1APtWVrtqIX
InChI InChI=1S/C27H35NO3/c1-5-17-27(18-16-20-10-8-7-9-11-20)19-24(29)25(26(30)31-27)23(6-2)21-12-14-22(15-13-21)28(3)4/h7-15,23,30H,5-6,16-19H2,1-4H3
InChIKey QZKYHEYLCDNZRM-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C27H35NO3
Exact Mass 421.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1t97xV298i
Name Tipranavir artifact (amine) 2ME
Classification Virustatic
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Exact Mass 421.261693988 u
Formula C27H35NO3
InChI InChI=1S/C27H35NO3/c1-5-17-27(18-16-20-10-8-7-9-11-20)19-24(29)25(26(30)31-27)23(6-2)21-12-14-22(15-13-21)28(3)4/h7-15,23,30H,5-6,16-19H2,1-4H3
InChIKey QZKYHEYLCDNZRM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 421.581 g/mol
SMILES CN(C)c1ccc(cc1)C(CC)C1=C(OC(CC1=O)(CCc1ccccc1)CCC)O
SPLASH splash10-006x-4940100000-e984b6c3dd336df0bd9d
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_7922