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Efavirenz
SpectraBase Compound ID BTBoFj8P2dg
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
InChIKey XPOQHMRABVBWPR-ZDUSSCGKSA-N
Mol Weight 315.68 g/mol
Molecular Formula C14H9ClF3NO2
Exact Mass 315.027391 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7xOBFpket7Y
Name Efavirenz
Source of Sample Sigma-Aldrich Company Llc
Catalog Number SML0536
Lot Number 112M4701V
Accessory DurasamplIR II
CAS Registry Number 154598-52-4
Classification a nonnucleoside reverse transcriptase inhibitor
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Formula C14H9ClF3NO2
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
InChIKey XPOQHMRABVBWPR-ZDUSSCGKSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Sustiva; (4S)​-​6-​Chloro-​4-​(2-​cyclopropylethynyl)​-​1,4-​dihydro-​4-​(trifluoromethyl)​-​2H-​3,1-​benzoxazin-​2-​one
Technique ATR-Neat (DuraSamplIR II)