4(1H)-Quinazolinone, 2-methyl-

• Formula: C₉H₈N₂O
• Molecular weight: 160.1726
• IUPAC Standard InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12) Copy

  
• IUPAC Standard InChIKey: FIEYHAAMDAPVCH-UHFFFAOYSA-N Copy
• CAS Registry Number: 1769-24-0
• Chemical structure:
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• Other names: 2-Methyl-4-quinazolinone; 2-Methyl-4(3H)-quinazolinone; 2-Methylquinazolone; 2-Methyl-4-quinazolone; 4-Quinazolinol, 2-methyl-; 4(3H)-Quinazolinone, 2-methyl-; 4-Quinazolone, 2-methyl; Quinazolin-4-one, 2-methyl; 2-methylquinazolin-4(1H)-one
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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, custom temperature program

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Normal alkane RI, 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.

Papp, Szász, et al., 1991
Papp, O.; Szász, Gy.; Orfi, L.; Hermecz, I., Correlation between structure and gas chromatographic behaviour of nitrogen-containing heterocyclic compounds. II. Alkyl substitution of quinazolone derivatives, J. Chromatogr., 1991, 537, 371-376, https://doi.org/10.1016/S0021-9673(01)88910-X . [all data]

Zhang, Li, et al., 2003
Zhang, X.; Li, J.; Cao, W., Quantitative structure-retention relationship for quinazoline derivatives, J. Beijing Inst. Chem. Technol., 2003, 30, 5, 101-104. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Notes

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