3-Acetylcoumarin

• Formula: C₁₁H₈O₃
• Molecular weight: 188.1794
• IUPAC Standard InChI: InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3 Copy

  
• IUPAC Standard InChIKey: CSPIFKKOBWYOEX-UHFFFAOYSA-N Copy
• CAS Registry Number: 3949-36-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2H-1-Benzopyran-2-one, 3-acetyl-; Coumarin, 3-acetyl-; 3-Acetylcoumarine
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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

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.

Orlita, Sidwa-Gorycka, et al., 2008
Orlita, A.; Sidwa-Gorycka, M.; Kumirska, J.; Malinski, E.; Siedlecka, E.M.; Gajdus, J.; Lojkowska, E.; Stepnowski, P., Identification of Ruta graveolens L. metabolites accumulated in the presence of abiotic elicitors, Biotechnol. Prog., 2008, 24, 1, 128-133, https://doi.org/10.1021/bp070261d . [all data]

Notes

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