Hexethal

• Formula: C₁₂H₂₀N₂O₃
• Molecular weight: 240.2988
• IUPAC Standard InChI: InChI=1S/C12H20N2O3/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17) Copy

  
• IUPAC Standard InChIKey: PSTVHRSUNBSVIJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 77-30-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-hexyl-; Barbituric acid, 5-ethyl-5-hexyl-; Ortal; Ortol; 5-Ethyl-5-hexylbarbituric acid; Acide hexylethylbarbiturique; Barbituric acid, 5-ethyl-5-n-hexyl-; 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione; NSC 32303
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • IR Spectrum
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stead, Gill, et al., 1982
Stead, A.H.; Gill, R.; Evans, A.T.; Moffat, A.C., Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure, J. Chromatogr., 1982, 234, 2, 277-283, https://doi.org/10.1016/S0021-9673(00)81866-X . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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