2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-

• Formula: C₁₃H₂₂N₂O₃
• Molecular weight: 254.3254
• IUPAC Standard InChI: InChI=1S/C13H22N2O3/c1-6-8-9(3)13(7-2)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3 Copy

  
• IUPAC Standard InChIKey: VZZFPHAKJNPXQY-UHFFFAOYSA-N Copy
• CAS Registry Number: 28239-47-6
• Chemical structure:
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• Other names: Barbituric acid, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-; Dimethylpentobarbital; N,N'-Dimethylpentobarbital; Barbituric acid, 1,3-dimethyl-5-ethyl-5-(1-methylbutyl)-; 1,3-Dimethyl-5-ethyl-5-(1-methylbutyl)barbituric acid; 1,3-Dimethylpentobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbuthyl)-; Pentobarbitone-permethylated; 1,3-Dimethyl derivative of pentobarbital; 5-Ethyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; Pentobarbital, 1,3-dimethyl; Pentobarbital permethylated; Pentobarbital Me
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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, temperature ramp

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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.

Gambaro, Mariani, et al., 1982
Gambaro, V.; Mariani, R.; Marozzi, E., Flash alkylation for the identification of barbiturates in biological material, J. Anal. Toxicol., 1982, 6, 6, 321-323, https://doi.org/10.1093/jat/6.6.321 . [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Sharp, 1987
Sharp, M.E., A rapid screening procedure for acidic and neutral drugs in blood by high resolution gas chromatography, J. Anal. Toxicol., 1987, 11, 1, 8-11, https://doi.org/10.1093/jat/11.1.8 . [all data]

Notes

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