7-Hydroxycoumarin

• Formula: C₉H₆O₃
• Molecular weight: 162.1421
• IUPAC Standard InChI: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H Copy

  
• IUPAC Standard InChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-N Copy
• CAS Registry Number: 93-35-6
• Chemical structure:
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• Other names: 2H-1-Benzopyran-2-one, 7-hydroxy-; Coumarin, 7-hydroxy-; Hydrangin; Hydrangine; Skimmetin; Skimmetine; Umbelliferon; Umbelliferone; 7-Oxycoumarin; 7 HC; 7-Hydroxy-2-chromenone; NSC 19790; 7-Hydroxy-2H-chromen-2-one; 1391-97-5
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Gas phase ion energetics data

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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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Appearance energy determinations

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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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Barnes and Occolowitz, 1964
Barnes, C.S.; Occolowitz, J.L., The mass spectra of some naturally occurring oxygen heterocycles and related compounds, Australian J. Chem., 1964, 17, 975. [all data]

Soares, Monache, et al., 1999
Soares, M.F.; Monache, F.D.; Heinzen, V.E.F.; Yunes, R.A., Prediction of gas chromatographic retention indices of coumarins, J. Braz. Chem. Soc., 1999, 10, 3, 189-196, https://doi.org/10.1590/S0103-50531999000300006 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Sandoval-Montemayor, Garcia, et al., 2012
Sandoval-Montemayor, N.E.; Garcia, A.; Elizondo-Trevino, E.; Garza-Gonzales, E.; Alvarez, L.; Camacho-Corona, M. delR., Chemical composition of hexane extract of Citrus aurantifolia and anti-mycobacterium tuberculosis activity of some of its constituents, Molecules, 2012, 17, 12, 11173-11184, https://doi.org/10.3390/molecules170911173 . [all data]

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]

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

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• Symbols used in this document:
  

  AE	Appearance energy

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