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A-(Trifluoromethyl)-benzyl (-).omega.-camphanate
SpectraBase Compound ID 1BB2YgkVVo0
InChI InChI=1S/C18H19F3O4/c1-15(2)16(3)9-10-17(15,25-13(16)22)14(23)24-12(18(19,20)21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12?,16-,17+/m0/s1
InChIKey YWTZMHYSZOOIDL-CRRZLINXSA-N
Mol Weight 356.34 g/mol
Molecular Formula C18H19F3O4
Exact Mass 356.123544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMoxZfEVEDA
Name A-(Trifluoromethyl)-benzyl (-).omega.-camphanate
CAS Registry Number 63230-16-0
Comments SHIFTS OF C2, C4, C5, C10, C11 AND C13 DIFFER BY 0.2 PPM BETWEEN R AND S ENANTIOMERS
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Formula C18H19F3O4
InChI InChI=1S/C18H19F3O4/c1-15(2)16(3)9-10-17(15,25-13(16)22)14(23)24-12(18(19,20)21)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12?,16-,17+/m0/s1
InChIKey YWTZMHYSZOOIDL-CRRZLINXSA-N
Instrument Name Varian CFT-20
Literature Reference J. Jurczak, A. Konowal, Z. Krawczyk, Org. Magn. Resonance 15, 193 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3