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N-(3,3,3-TRIFLUORO-2-OXO-1-PHENYLPROPYL)-BENZYLCARBAMATE
SpectraBase Compound ID C419d42l4a4
InChI InChI=1S/C17H14F3NO3/c18-17(19,20)15(22)14(13-9-5-2-6-10-13)21-16(23)24-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,21,23)
InChIKey PEKZQEPIHZKXPU-UHFFFAOYSA-N
Mol Weight 337.3 g/mol
Molecular Formula C17H14F3NO3
Exact Mass 337.092578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJYC45Oc9U0
Name N-(3,3,3-TRIFLUORO-2-OXO-1-PHENYLPROPYL)-BENZYLCARBAMATE
Compound Number 5
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Formula C17H14F3NO3
InChI InChI=1S/C17H14F3NO3/c18-17(19,20)15(22)14(13-9-5-2-6-10-13)21-16(23)24-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,21,23)
InChIKey PEKZQEPIHZKXPU-UHFFFAOYSA-N
Literature Reference Author C.W.DERSTINE,D.N.SMITH,J.A.KATZENELLENBOGEN
Literature Reference Citation J.AM.CHEM.SOC.,118,8485(1996)
Literature Reference DOI 10.1021/ja9614833
Molecular Weight 337.298 g/mol
Sample ID 36270
Solvent DMSO-D6:D2O