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Efavirenz artifact AC
SpectraBase Compound ID DaM24DeCXid
InChI InChI=1S/C15H11ClF3NO/c1-9(21)20-14-7-5-11(16)8-12(14)13(15(17,18)19)6-4-10-2-3-10/h5,7-8H,2-3H2,1H3,(H,20,21)
InChIKey BHHPNLJVMNINNQ-UHFFFAOYSA-N
Mol Weight 313.71 g/mol
Molecular Formula C15H11ClF3NO
Exact Mass 313.048126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HsLOlrnpiA
Name Efavirenz artifact AC
Classification Virustatic
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Exact Mass 313.048126166 u
Formula C15H11ClF3NO
InChI InChI=1S/C15H11ClF3NO/c1-9(21)20-14-7-5-11(16)8-12(14)13(15(17,18)19)6-4-10-2-3-10/h5,7-8H,2-3H2,1H3,(H,20,21)
InChIKey BHHPNLJVMNINNQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 313.707 g/mol
SMILES c1cc(cc(c1NC(C)=O)C(=C=C=C1CC1)C(F)(F)F)Cl
SPLASH splash10-0006-2590000000-86c1b7120f4b0cab0f80
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_7934