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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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNqNY7yjRJ0
Name (S)-6-CHLORO-4-(CYCLOPROPYLETHYNYL)-1,4-DIHYDRO-4-(TRIFLUOROMETHYL)-2-H-3,1-BENZOXAZIN-2-ONE;DMP_266
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author M.E.PIERCE,R.L.PARSONS,L.A.RADESCA,Y.S.LO,S.SILVERMAN,J.R.MO ORE,Q.ISLAM,A.CHOUDH
Literature Reference Citation J.ORG.CHEM.,63,8536(1998)
Literature Reference DOI 10.1021/jo981170l
Solvent DMSO-D6
Source File Reference UWMZ26152