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1-Chloro-5-trifluoromethyl-trishomobarrelene

View entire compound with spectra: 1 NMR

1-Chloro-5-trifluoromethyl-trishomobarrelene
SpectraBase Compound ID 5fVXpWMO8Cg
InChI InChI=1S/C12H12ClF3/c13-11-7-1-4(7)10(12(14,15)16,5-2-8(5)11)6-3-9(6)11/h4-9H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-/m0/s1
InChIKey KEWWSLKENITJLE-CUHOAIKESA-N
Mol Weight 248.68 g/mol
Molecular Formula C12H12ClF3
Exact Mass 248.057963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EevZMC1gEiL
Name 1-Chloro-5-trifluoromethyl-trishomobarrelene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12ClF3
InChI InChI=1S/C12H12ClF3/c13-11-7-1-4(7)10(12(14,15)16,5-2-8(5)11)6-3-9(6)11/h4-9H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-/m0/s1
InChIKey KEWWSLKENITJLE-CUHOAIKESA-N
Literature Reference P. Goelitz, A. De Meijere, Angew. Chem. 93, 302 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3