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2,6-DIDEUTERIO-4-METHYLBENZOTRIFLUORIDE

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2,6-DIDEUTERIO-4-METHYLBENZOTRIFLUORIDE
SpectraBase Compound ID CQ5xo3YFfs0
InChI InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3/i4D,5D
InChIKey LRLRAYMYEXQKID-KFRNQKGQSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H52H2F3
Exact Mass 162.062538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4L7lNAKNaQT
Name 2,6-DIDEUTERIO-4-METHYLBENZOTRIFLUORIDE
Compound Number 5-D 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H52H2F3
InChI InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3/i4D,5D
InChIKey LRLRAYMYEXQKID-KFRNQKGQSA-N
Literature Reference Author D.DECOSTA,J.PINCOCK
Literature Reference Citation J.ORG.CHEM.,67,9484(2002)
Literature Reference DOI 10.1021/jo0205715
Molecular Weight 162.151 g/mol
Solvent CD3CN
Source File Reference UWMS25354