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Efavirenz AC
SpectraBase Compound ID B0Tb0BGOY6r
InChI InChI=1S/C16H11ClF3NO3/c1-9(22)21-13-5-4-11(17)8-12(13)15(16(18,19)20,24-14(21)23)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3
InChIKey SSHIQGHMYOSAGS-UHFFFAOYSA-N
Mol Weight 357.72 g/mol
Molecular Formula C16H11ClF3NO3
Exact Mass 357.037955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qtrsYf5xcv
Name Efavirenz AC
Classification Virustatic
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Exact Mass 357.037955404 u
Formula C16H11ClF3NO3
InChI InChI=1S/C16H11ClF3NO3/c1-9(22)21-13-5-4-11(17)8-12(13)15(16(18,19)20,24-14(21)23)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3
InChIKey SSHIQGHMYOSAGS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.716 g/mol
SMILES c1cc(cc2c1N(C(OC2(C(F)(F)F)C#CC1CC1)=O)C(C)=O)Cl
SPLASH splash10-014l-2592000000-1efe510bcd4629325c34
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_7945