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trans-1-(3,5-Bis(trifluoromethyl)-phenyl)-3-methyl-but-1-en-3-ol
SpectraBase Compound ID 90TKhZHQUZ3
InChI InChI=1S/C13H12F6O/c1-11(2,20)4-3-8-5-9(12(14,15)16)7-10(6-8)13(17,18)19/h3-7,20H,1-2H3/b4-3+
InChIKey SKCREMBXOWFSKR-ONEGZZNKSA-N
Mol Weight 298.23 g/mol
Molecular Formula C13H12F6O
Exact Mass 298.079234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ivzo0j3Olt0
Name trans-1-(3,5-Bis(trifluoromethyl)-phenyl)-3-methyl-but-1-en-3-ol
CAS Registry Number 96307-83-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12F6O
InChI InChI=1S/C13H12F6O/c1-11(2,20)4-3-8-5-9(12(14,15)16)7-10(6-8)13(17,18)19/h3-7,20H,1-2H3/b4-3+
InChIKey SKCREMBXOWFSKR-ONEGZZNKSA-N
Instrument Name Varian XL-100
Literature Reference G.K. Prakash, V.V. Krishnamurthy, G.Olah, J. Am. Chem. Soc. 107, 3928 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3