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4-(3-Trifluoromethyl-phenyl)-pent-2-yn-4-ol
SpectraBase Compound ID 5cbMt6SPdn7
InChI InChI=1S/C12H11F3O/c1-3-7-11(2,16)9-5-4-6-10(8-9)12(13,14)15/h4-6,8,16H,1-2H3
InChIKey CMCXQMDEGMRKOF-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H11F3O
Exact Mass 228.076199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6O7DtgZG2sw
Name 4-(3-Trifluoromethyl-phenyl)-pent-2-yn-4-ol
CAS Registry Number 96307-87-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11F3O
InChI InChI=1S/C12H11F3O/c1-3-7-11(2,16)9-5-4-6-10(8-9)12(13,14)15/h4-6,8,16H,1-2H3
InChIKey CMCXQMDEGMRKOF-UHFFFAOYSA-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