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Raltegravir artifact
SpectraBase Compound ID JLxgxXnhxrM
InChI InChI=1S/C16H16FN3O3/c1-9(2)14-19-16(23)13(21)12(20(14)3)15(22)18-8-10-4-6-11(17)7-5-10/h4-7,21H,1,8H2,2-3H3,(H,18,22)
InChIKey HNHZFWVFWJXRCN-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C16H16FN3O3
Exact Mass 317.11757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQYwWDJDiAM
Name Raltegravir artifact
Classification Virustatic
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Exact Mass 317.117569547 u
Formula C16H16N3O3F
InChI InChI=1S/C16H16FN3O3/c1-9(2)14-19-16(23)13(21)12(20(14)3)15(22)18-8-10-4-6-11(17)7-5-10/h4-7,21H,1,8H2,2-3H3,(H,18,22)
InChIKey HNHZFWVFWJXRCN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.320 g/mol
Related CAS Registry Number(s) 518048-05-0
SMILES CN1C(=NC(C(=C1C(=O)NCc1ccc(cc1)F)O)=O)C(C)=C
SPLASH splash10-0600-2932000000-89cb87b4b35ead245464
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_7949