1,2,4,5-Tetradeuterio-3-deuteriooxy-6-ethylbenzene

For research use only. Not for therapeutic Use.

  • CAT Number: R040463
  • CAS Number: 340256-40-8
  • PubChem Substance ID: 102601076
  • Molecular Formula: CH3CH2C6D4OD
  • Molecular Weight: 127.19
  • Purity: ≥95%
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1,2,4,5-Tetradeuterio-3-deuteriooxy-6-ethylbenzene is a deuterated derivative of ethylbenzene, where hydrogen atoms are replaced with deuterium, a stable hydrogen isotope. This compound is used in nuclear magnetic resonance (NMR) spectroscopy to study molecular structures and dynamics due to its enhanced spectral resolution. Its specific labeling provides detailed insights into chemical behavior and reaction mechanisms in research and analytical applications.


CAS Number 340256-40-8
Molecular Formula CH3CH2C6D4OD
Purity ≥95%
Target Endogenous Metabolite
IUPAC Name 1,2,4,5-tetradeuterio-3-deuteriooxy-6-ethylbenzene
InChI InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3/i3D,4D,5D,6D/hD
InChIKey HXDOZKJGKXYMEW-VZNXVBLTSA-N
SMILES CCC1=CC=C(C=C1)O

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